3-(2-chloro-4-fluorophenyl)-4-methylpyridine

C12H9ClFN — CID 56710047

IUPAC3-(2-chloro-4-fluorophenyl)-4-methylpyridine
SMILESCc1ccncc1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H9ClFN/c1-8-4-5-15-7-11(8)10-3-2-9(14)6-12(10)13/h2-7H,1H3
InChIKeyUSUNZGCNWZJHCN-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.85
Rot. Bonds1

About 3-(2-chloro-4-fluorophenyl)-4-methylpyridine

3-(2-chloro-4-fluorophenyl)-4-methylpyridine (PubChem CID 56710047) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-4-methylpyridine
PubChem CID56710047
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name3-(2-chloro-4-fluorophenyl)-4-methylpyridine
SMILESCc1ccncc1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H9ClFN/c1-8-4-5-15-7-11(8)10-3-2-9(14)6-12(10)13/h2-7H,1H3
InChIKeyUSUNZGCNWZJHCN-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(4-methyl-3-pyridinyl)benzoic acid
CID 66271663
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
3-(2-fluorophenyl)-4-methylpyridine
CID 46313062
3-fluoro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 56651283
1-(2-chloro-4-fluorophenyl)-N-[(4-methyl-3-pyridinyl)methyl]ethanamine
CID 115901861
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(2,4-dichlorophenyl)-2-(4-methyl-3-pyridinyl)-1,3-thiazole;hydrochloride
CID 67551034
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764
4-(2-chloro-5-fluorophenyl)pyridin-3-amine
CID 105395669
2,5-dichloro-N-[3-methyl-4-(4-methyl-3-pyridinyl)phenyl]benzenesulfonamide
CID 66714005
5-(5-fluoro-2-methylphenyl)-1H-pyrazole
CID 89211129
3-(2-amino-4-fluorophenyl)pyridin-4-amine
CID 154474291

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-4-methylpyridine (CID 56710047) is 3-(2-chloro-4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-4-methylpyridine is Cc1ccncc1-c1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-4-methylpyridine?
The InChIKey is USUNZGCNWZJHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c1-8-4-5-15-7-11(8)10-3-2-9(14)6-12(10)13/h2-7H,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-4-methylpyridine?
3-(2-chloro-4-fluorophenyl)-4-methylpyridine has a molecular weight of 221.66 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 56710047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).