(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone

C13H9ClFNO — CID 105122735

IUPAC(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFNO/c1-8-10(3-2-6-16-8)13(17)11-5-4-9(14)7-12(11)15/h2-7H,1H3
InChIKeySUIHIOBRBAJBNO-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.41
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone

(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone (PubChem CID 105122735) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
PubChem CID105122735
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFNO/c1-8-10(3-2-6-16-8)13(17)11-5-4-9(14)7-12(11)15/h2-7H,1H3
InChIKeySUIHIOBRBAJBNO-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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
(4-chloro-2-fluorophenyl)-(2-iodophenyl)methanone
CID 115791492
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105102625
(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
CID 118997236
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
3-(5-chloro-2-fluorobenzoyl)pyridine-2-carboxylic acid
CID 23355556
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone (CID 105122735) is (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone?
The InChIKey is SUIHIOBRBAJBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c1-8-10(3-2-6-16-8)13(17)11-5-4-9(14)7-12(11)15/h2-7H,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone?
(4-chloro-2-fluorophenyl)-(2-methyl-3-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 (4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105122735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).