(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone

C13H9ClFNO — CID 107559897

IUPAC(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cn2)cc1Cl
InChIInChI=1S/C13H9ClFNO/c1-8-2-3-9(6-11(8)14)13(17)12-5-4-10(15)7-16-12/h2-7H,1H3
InChIKeyIYOBSUTVBHKDPU-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.41
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone

(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 107559897) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID107559897
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)cn2)cc1Cl
InChIInChI=1S/C13H9ClFNO/c1-8-2-3-9(6-11(8)14)13(17)12-5-4-10(15)7-16-12/h2-7H,1H3
InChIKeyIYOBSUTVBHKDPU-UHFFFAOYSA-N
XLogP3.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
(3-chloro-4-methylphenyl)-pyrimidin-4-ylmethanone
CID 107559832
(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723476
(3-chloro-4-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 107559828
(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
CID 107559829
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-methylphenyl)-(2H-triazol-4-yl)methanone
CID 107559913
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(5-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 79723230
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
CID 59627441
(5-fluoro-2-pyridinyl)-(2-methylphenyl)methanone
CID 79722365

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone (CID 107559897) is (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone is Cc1ccc(C(=O)c2ccc(F)cn2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is IYOBSUTVBHKDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c1-8-2-3-9(6-11(8)14)13(17)12-5-4-10(15)7-16-12/h2-7H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone?
(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 249.67 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 107559897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).