2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine

C153H192Cl3F12N21 — CID 165021664

IUPAC2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(F)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1C#N.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnccc1Cl.CC(C)c1cnccc1F.CC(C)c1ncccc1C#N.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/2C9H10F3N.3C9H10N2.4C9H13N.3C8H10ClN.6C8H10FN/c1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-7(2)9-6-11-4-3-8(9)5-10;1-7(2)8-4-3-5-11-9(8)6-10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;2*1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h2*3-6H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7H,1-2H3;4*4-7H,1-3H3;9*3-6H,1-2H3
InChIKeyLGFNZWVXLWTJOA-UHFFFAOYSA-N
MW2659.70 g/mol
LogP45.37
Rot. Bonds18

About 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine

2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 165021664) has the molecular formula C153H192Cl3F12N21 and a molecular weight of 2659.70 g/mol. Its IUPAC name is 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID165021664
Molecular FormulaC153H192Cl3F12N21
Molecular Weight2659.70 g/mol
Exact Mass2656.45
IUPAC Name2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(F)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1C#N.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnccc1Cl.CC(C)c1cnccc1F.CC(C)c1ncccc1C#N.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C
InChIInChI=1S/2C9H10F3N.3C9H10N2.4C9H13N.3C8H10ClN.6C8H10FN/c1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-7(2)9-6-11-4-3-8(9)5-10;1-7(2)8-4-3-5-11-9(8)6-10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;2*1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h2*3-6H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7H,1-2H3;4*4-7H,1-3H3;9*3-6H,1-2H3
InChIKeyLGFNZWVXLWTJOA-UHFFFAOYSA-N
XLogP45.37
TPSA303.39 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002659.70
LogP ≤ 545.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine (CID 165021664) is 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine is CC(C)c1cc(F)ccn1.CC(C)c1ccc(F)cn1.CC(C)c1cccc(F)n1.CC(C)c1cccnc1C#N.CC(C)c1cccnc1C(F)(F)F.CC(C)c1cccnc1Cl.CC(C)c1cccnc1F.CC(C)c1cnccc1C#N.CC(C)c1cnccc1C(F)(F)F.CC(C)c1cnccc1Cl.CC(C)c1cnccc1F.CC(C)c1ncccc1C#N.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.Cc1cccnc1C(C)C.Cc1cccnc1C(C)C.Cc1ccncc1C(C)C.Cc1ncccc1C(C)C.
What is the InChIKey of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is LGFNZWVXLWTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10F3N.3C9H10N2.4C9H13N.3C8H10ClN.6C8H10FN/c1-6(2)7-5-13-4-3-8(7)9(10,11)12;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-7(2)9-6-11-4-3-8(9)5-10;1-7(2)8-4-3-5-11-9(8)6-10;1-7(2)9-8(6-10)4-3-5-11-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-5-4-6-10-8(9)3;2*1-7(2)9-8(3)5-4-6-10-9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-5-10-4-3-8(7)9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-10-8(7)9;1-6(2)7-4-3-5-8(9)10-7/h2*3-6H,1-2H3;3-4,6-7H,1-2H3;2*3-5,7H,1-2H3;4*4-7H,1-3H3;9*3-6H,1-2H3.
What are the key properties of 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine?
2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 2659.70 g/mol, XLogP of 45.37, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propan-2-ylpyridine;3-chloro-2-propan-2-ylpyridine;4-chloro-3-propan-2-ylpyridine;2-fluoro-3-propan-2-ylpyridine;2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;4-fluoro-2-propan-2-ylpyridine;4-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methyl-3-propan-2-ylpyridine;bis(3-methyl-2-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-propan-2-ylpyridine-3-carbonitrile;3-propan-2-ylpyridine-2-carbonitrile;3-propan-2-ylpyridine-4-carbonitrile;3-propan-2-yl-2-(trifluoromethyl)pyridine;3-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 165021664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).