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

C12H9ClFN — CID 165448690

IUPAC4-chloro-3-(3-fluorophenyl)-2-methylpyridine
SMILESCc1nccc(Cl)c1-c1cccc(F)c1
InChIInChI=1S/C12H9ClFN/c1-8-12(11(13)5-6-15-8)9-3-2-4-10(14)7-9/h2-7H,1H3
InChIKeyCVDPLEAZZRVHGW-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.85
Rot. Bonds1

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

4-chloro-3-(3-fluorophenyl)-2-methylpyridine (PubChem CID 165448690) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 4-chloro-3-(3-fluorophenyl)-2-methylpyridine.

Molecular Properties

Compound Name4-chloro-3-(3-fluorophenyl)-2-methylpyridine
PubChem CID165448690
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name4-chloro-3-(3-fluorophenyl)-2-methylpyridine
SMILESCc1nccc(Cl)c1-c1cccc(F)c1
InChIInChI=1S/C12H9ClFN/c1-8-12(11(13)5-6-15-8)9-3-2-4-10(14)7-9/h2-7H,1H3
InChIKeyCVDPLEAZZRVHGW-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-fluorophenyl)-2-methylpyridine?
The IUPAC name of 4-chloro-3-(3-fluorophenyl)-2-methylpyridine (CID 165448690) is 4-chloro-3-(3-fluorophenyl)-2-methylpyridine.
What is the SMILES notation for 4-chloro-3-(3-fluorophenyl)-2-methylpyridine?
The canonical SMILES for 4-chloro-3-(3-fluorophenyl)-2-methylpyridine is Cc1nccc(Cl)c1-c1cccc(F)c1.
What is the InChIKey of 4-chloro-3-(3-fluorophenyl)-2-methylpyridine?
The InChIKey is CVDPLEAZZRVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c1-8-12(11(13)5-6-15-8)9-3-2-4-10(14)7-9/h2-7H,1H3.
What are the key properties of 4-chloro-3-(3-fluorophenyl)-2-methylpyridine?
4-chloro-3-(3-fluorophenyl)-2-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 4-chloro-3-(3-fluorophenyl)-2-methylpyridine is sourced from PubChem (CID 165448690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).