3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine

C21H17ClF4N2 — CID 144912612

IUPAC3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine
SMILESCc1cc(-c2ccc(Cl)c(-c3cccc(C(C)C)c3F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H17ClF4N2/c1-11(2)14-5-4-6-15(19(14)23)20-16(22)7-8-17(28-20)13-9-12(3)27-18(10-13)21(24,25)26/h4-11H,1-3H3
InChIKeyYEKNKPRVLFBSOW-UHFFFAOYSA-N
MW408.83 g/mol
LogP7.05
Rot. Bonds3

About 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine

3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine (PubChem CID 144912612) has the molecular formula C21H17ClF4N2 and a molecular weight of 408.83 g/mol. Its IUPAC name is 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine
PubChem CID144912612
Molecular FormulaC21H17ClF4N2
Molecular Weight408.83 g/mol
Exact Mass408.10
IUPAC Name3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine
SMILESCc1cc(-c2ccc(Cl)c(-c3cccc(C(C)C)c3F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H17ClF4N2/c1-11(2)14-5-4-6-15(19(14)23)20-16(22)7-8-17(28-20)13-9-12(3)27-18(10-13)21(24,25)26/h4-11H,1-3H3
InChIKeyYEKNKPRVLFBSOW-UHFFFAOYSA-N
XLogP7.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.83
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine with MolForge

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Related Compounds

2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-fluorophenyl)acetonitrile (27)
CID 56604826
2-(6-Chloropyridin-2-yl)-2-(4-(trifluoromethyl) phenyl)acetonitrile (10)
CID 56604868
2-(4-Chlorophenyl)-2-(6-(trifluoromethyl)pyridin-2-yl)acetonitrile (16)
CID 56604880
2-(4-Chloro-2-fluorophenyl)-2-(6-chloro-5-(trifluoro-methyl)pyridin-2-yl)acetonitrile (32)
CID 56604889
2-(6-Chloropyridin-2-yl)-2-(4-fluorophenyl)acetonitrile (9)
CID 56851825
4-Chloro-2-methyl-8-(trifluoromethyl)quinoline
CID 17039581
4-Chloro-2,8-bis(trifluoromethyl)quinoline
CID 2733247
2-(6-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(4-(trifluoromethyl)phenyl)acetonitrile (28)
CID 56604828
2-[(2-Chlorophenyl)methyl]-6-(1-methylpiperidin-3-yl)pyridine
CID 110249269
US9676701, 76 (trans)-2-(2-chloro-6-(3-(trifluoromethyl)phenyl)pyridin-3-yl)cyclopropanamine hydrochloride
CID 56655046
2-Chloro-4-methyl-8-(propan-2-yl)quinoline
CID 2118094
2-(1-Methylpiperidin-3-yl)-6-[3-(trifluoromethyl)phenyl]pyridine
CID 110249262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine?
The IUPAC name of 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine (CID 144912612) is 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine.
What is the SMILES notation for 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine?
The canonical SMILES for 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine is Cc1cc(-c2ccc(Cl)c(-c3cccc(C(C)C)c3F)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine?
The InChIKey is YEKNKPRVLFBSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF4N2/c1-11(2)14-5-4-6-15(19(14)23)20-16(22)7-8-17(28-20)13-9-12(3)27-18(10-13)21(24,25)26/h4-11H,1-3H3.
What are the key properties of 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine?
3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine has a molecular weight of 408.83 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluoro-3-propan-2-ylphenyl)-6-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]pyridine is sourced from PubChem (CID 144912612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).