5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine

C125H169ClFN21O5 — CID 157334123

IUPAC5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine
SMILESCC(C)c1cc(C#N)ccn1.CC(C)c1cc(C(N)=O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cc(N)c(N)cn1.CC(C)c1cc(N2CCOCC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.Cc1cc(C(C)C)ncc1C#N.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H18N2O.C10H12N2.C9H12N2O.2C9H10N2.2C9H13NO.2C9H13N.C8H10ClN.C8H10FN.C8H13N3.C8H11NO.C8H11N/c1-10(2)12-9-11(3-4-13-12)14-5-7-15-8-6-14;1-7(2)10-4-8(3)9(5-11)6-12-10;1-6(2)8-5-7(9(10)12)3-4-11-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-8(6-11)3-4-10-9;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-3-6(9)7(10)4-11-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-5-3-4-6-9-8/h3-4,9-10H,5-8H2,1-2H3;4,6-7H,1-3H3;3-6H,1-2H3,(H2,10,12);3-5,7H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7,11H,6H2,1-2H3;2*4-7H,1-3H3;2*3-6H,1-2H3;3-5H,10H2,1-2H3,(H2,9,11);3-6,10H,1-2H3;3-7H,1-2H3
InChIKeyBFQCBMKNHFHPOS-UHFFFAOYSA-N
MW2100.32 g/mol
LogP28.99
Rot. Bonds18

About 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine

5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine (PubChem CID 157334123) has the molecular formula C125H169ClFN21O5 and a molecular weight of 2100.32 g/mol. Its IUPAC name is 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine.

Molecular Properties

Compound Name5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine
PubChem CID157334123
Molecular FormulaC125H169ClFN21O5
Molecular Weight2100.32 g/mol
Exact Mass2098.33
IUPAC Name5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine
SMILESCC(C)c1cc(C#N)ccn1.CC(C)c1cc(C(N)=O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cc(N)c(N)cn1.CC(C)c1cc(N2CCOCC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.Cc1cc(C(C)C)ncc1C#N.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1
InChIInChI=1S/C12H18N2O.C10H12N2.C9H12N2O.2C9H10N2.2C9H13NO.2C9H13N.C8H10ClN.C8H10FN.C8H13N3.C8H11NO.C8H11N/c1-10(2)12-9-11(3-4-13-12)14-5-7-15-8-6-14;1-7(2)10-4-8(3)9(5-11)6-12-10;1-6(2)8-5-7(9(10)12)3-4-11-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-8(6-11)3-4-10-9;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-3-6(9)7(10)4-11-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-5-3-4-6-9-8/h3-4,9-10H,5-8H2,1-2H3;4,6-7H,1-3H3;3-6H,1-2H3,(H2,10,12);3-5,7H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7,11H,6H2,1-2H3;2*4-7H,1-3H3;2*3-6H,1-2H3;3-5H,10H2,1-2H3,(H2,9,11);3-6,10H,1-2H3;3-7H,1-2H3
InChIKeyBFQCBMKNHFHPOS-UHFFFAOYSA-N
XLogP28.99
TPSA420.12 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002100.32
LogP ≤ 528.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-ethyl-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
CID 157091717
2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
CID 157334217
4-ethyl-2-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
CID 159677197
4-ethyl-2-propan-2-ylpyridine;methane;2-methoxy-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine;4-(6-propan-2-yl-3-pyridinyl)morpholine;2-[4-(2-propan-2-yl-4-pyridinyl)piperazin-1-yl]ethanol;2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]ethanol
CID 162185558

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine?
The IUPAC name of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine (CID 157334123) is 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine.
What is the SMILES notation for 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine?
The canonical SMILES for 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine is CC(C)c1cc(C#N)ccn1.CC(C)c1cc(C(N)=O)ccn1.CC(C)c1cc(CO)ccn1.CC(C)c1cc(N)c(N)cn1.CC(C)c1cc(N2CCOCC2)ccn1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(CO)cn1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc(O)cn1.CC(C)c1ccccn1.Cc1cc(C(C)C)ncc1C#N.Cc1ccc(C(C)C)nc1.Cc1ccnc(C(C)C)c1.
What is the InChIKey of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine?
The InChIKey is BFQCBMKNHFHPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C10H12N2.C9H12N2O.2C9H10N2.2C9H13NO.2C9H13N.C8H10ClN.C8H10FN.C8H13N3.C8H11NO.C8H11N/c1-10(2)12-9-11(3-4-13-12)14-5-7-15-8-6-14;1-7(2)10-4-8(3)9(5-11)6-12-10;1-6(2)8-5-7(9(10)12)3-4-11-8;1-7(2)9-5-8(6-10)3-4-11-9;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-5-8(6-11)3-4-10-9;1-7(2)9-4-3-8(6-11)5-10-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;1-5(2)8-3-6(9)7(10)4-11-8;1-6(2)8-4-3-7(10)5-9-8;1-7(2)8-5-3-4-6-9-8/h3-4,9-10H,5-8H2,1-2H3;4,6-7H,1-3H3;3-6H,1-2H3,(H2,10,12);3-5,7H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7,11H,6H2,1-2H3;2*4-7H,1-3H3;2*3-6H,1-2H3;3-5H,10H2,1-2H3,(H2,9,11);3-6,10H,1-2H3;3-7H,1-2H3.
What are the key properties of 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine?
5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine has a molecular weight of 2100.32 g/mol, XLogP of 28.99, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;4-methyl-6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-ylpyridine-4-carboxamide;6-propan-2-ylpyridine-3,4-diamine;6-propan-2-ylpyridin-3-ol;(2-propan-2-yl-4-pyridinyl)methanol;(6-propan-2-yl-3-pyridinyl)methanol;4-(2-propan-2-yl-4-pyridinyl)morpholine is sourced from PubChem (CID 157334123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).