2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine

C126H166Cl3F6N17O5 — CID 165088146

IUPAC2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccnc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(F)Oc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ncc(C(C)C)cc1F
InChIInChI=1S/C10H14FNO.C9H10F3N.C9H12FN.C9H10N2.C9H13N.3C8H10ClN.C8H10FN.C8H12N2.4C8H11NO.C8H11N/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-9(10)7(3)11-5-8;1-7(2)9-3-8(4-10)5-11-6-9;1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7;1-7(2)8-4-3-5-9-6-8/h4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3,5-7H,1-2H3;4-7H,1-3H3;4*3-6H,1-2H3;4-6H,1-3H3;4*3-6H,1-2H3,(H,9,10);3-7H,1-2H3
InChIKeyWFYKOHPQSASWDF-UHFFFAOYSA-N
MW2219.17 g/mol
LogP34.39
Rot. Bonds17

About 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine

2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 165088146) has the molecular formula C126H166Cl3F6N17O5 and a molecular weight of 2219.17 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID165088146
Molecular FormulaC126H166Cl3F6N17O5
Molecular Weight2219.17 g/mol
Exact Mass2216.22
IUPAC Name2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccnc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(F)Oc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ncc(C(C)C)cc1F
InChIInChI=1S/C10H14FNO.C9H10F3N.C9H12FN.C9H10N2.C9H13N.3C8H10ClN.C8H10FN.C8H12N2.4C8H11NO.C8H11N/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-9(10)7(3)11-5-8;1-7(2)9-3-8(4-10)5-11-6-9;1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7;1-7(2)8-4-3-5-9-6-8/h4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3,5-7H,1-2H3;4-7H,1-3H3;4*3-6H,1-2H3;4-6H,1-3H3;4*3-6H,1-2H3,(H,9,10);3-7H,1-2H3
InChIKeyWFYKOHPQSASWDF-UHFFFAOYSA-N
XLogP34.39
TPSA319.14 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.17
LogP ≤ 534.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 162148660
2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-propan-2-ylphenol;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 165037915
3-chloro-2-methyl-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine-3-carbonitrile;2-methyl-5-propan-2-yl-1H-pyridin-4-one;2-propan-2-ylphenol;3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;3-propan-2-yl-5-(trifluoromethyl)pyridine
CID 165048708
2-chloro-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;2,3-dimethyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;methane;3-methyl-6-propan-2-ylpyridazine;2-methyl-4-propan-2-ylpyridine;tris(2-methyl-5-propan-2-ylpyridine);2-methyl-6-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);3-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one
CID 157360478

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 165088146) is 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1cc[nH]c(=O)c1.CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.CC(C)c1cccnc1.CC(C)c1cncc(C#N)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(Cl)c1.CC(C)c1cncc(F)c1.CC(F)Oc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nn1.Cc1ncc(C(C)C)cc1F.
What is the InChIKey of 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is WFYKOHPQSASWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.C9H10F3N.C9H12FN.C9H10N2.C9H13N.3C8H10ClN.C8H10FN.C8H12N2.4C8H11NO.C8H11N/c1-7(2)9-4-5-10(12-6-9)13-8(3)11;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-6(2)8-4-9(10)7(3)11-5-8;1-7(2)9-3-8(4-10)5-11-6-9;1-7(2)9-5-4-8(3)10-6-9;2*1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-8(9)10-5-7;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-5-4-7(3)9-10-8;1-6(2)7-3-4-9-8(10)5-7;1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7;1-7(2)8-4-3-5-9-6-8/h4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3,5-7H,1-2H3;4-7H,1-3H3;4*3-6H,1-2H3;4-6H,1-3H3;4*3-6H,1-2H3,(H,9,10);3-7H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine?
2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 2219.17 g/mol, XLogP of 34.39, 17 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylpyridine;bis(3-chloro-5-propan-2-ylpyridine);2-(1-fluoroethoxy)-5-propan-2-ylpyridine;3-fluoro-2-methyl-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-3-carbonitrile;3-propan-2-yl-1H-pyridin-2-one;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 165088146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).