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

C13H9ClFNO2 — CID 105125231

IUPAC(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccncc1Cl
InChIInChI=1S/C13H9ClFNO2/c1-18-12-3-2-8(15)6-10(12)13(17)9-4-5-16-7-11(9)14/h2-7H,1H3
InChIKeyOHTWJYDPUGUZDJ-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.11
Rot. Bonds3

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

(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 105125231) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID105125231
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccncc1Cl
InChIInChI=1S/C13H9ClFNO2/c1-18-12-3-2-8(15)6-10(12)13(17)9-4-5-16-7-11(9)14/h2-7H,1H3
InChIKeyOHTWJYDPUGUZDJ-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064925
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 79022615
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-amino-1H-pyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 82770548
(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone (CID 105125231) is (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is OHTWJYDPUGUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c1-18-12-3-2-8(15)6-10(12)13(17)9-4-5-16-7-11(9)14/h2-7H,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone?
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 265.67 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 105125231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).