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

C13H9ClFNO — CID 107128378

IUPAC(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)cn2)cc1F
InChIInChI=1S/C13H9ClFNO/c1-8-2-3-9(6-11(8)15)13(17)12-5-4-10(14)7-16-12/h2-7H,1H3
InChIKeyVDRQSRDNQHPIMS-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.41
Rot. Bonds2

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

(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 107128378) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID107128378
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(Cl)cn2)cc1F
InChIInChI=1S/C13H9ClFNO/c1-8-2-3-9(6-11(8)15)13(17)12-5-4-10(14)7-16-12/h2-7H,1H3
InChIKeyVDRQSRDNQHPIMS-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

(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 107559897
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
CID 113254895
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
(5-chloro-2-pyridinyl)-(3,5-dimethoxy-4-methylphenyl)methanone
CID 169324742
(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
CID 107128303
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
methyl 4-[(5-chloropyridine-2-carbonyl)amino]-3-fluorobenzoate
CID 122140941
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone (CID 107128378) is (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(Cl)cn2)cc1F.
What is the InChIKey of (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is VDRQSRDNQHPIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c1-8-2-3-9(6-11(8)15)13(17)12-5-4-10(14)7-16-12/h2-7H,1H3.
What are the key properties of (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)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 (5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107128378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).