(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone

C12H6ClF2NO — CID 105095200

IUPAC(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccncc1Cl
InChIInChI=1S/C12H6ClF2NO/c13-11-6-16-2-1-10(11)12(17)7-3-8(14)5-9(15)4-7/h1-6H
InChIKeySBELGXVAWAFYQW-UHFFFAOYSA-N
MW253.64 g/mol
LogP3.24
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone

(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone (PubChem CID 105095200) has the molecular formula C12H6ClF2NO and a molecular weight of 253.64 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
PubChem CID105095200
Molecular FormulaC12H6ClF2NO
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccncc1Cl
InChIInChI=1S/C12H6ClF2NO/c13-11-6-16-2-1-10(11)12(17)7-3-8(14)5-9(15)4-7/h1-6H
InChIKeySBELGXVAWAFYQW-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
(3,4-dichlorophenyl)-(3,5-difluorophenyl)methanone
CID 2758085
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 105131453
bis(3,5-difluorophenyl)methanone
CID 2760569
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone (CID 105095200) is (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)c1ccncc1Cl.
What is the InChIKey of (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone?
The InChIKey is SBELGXVAWAFYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO/c13-11-6-16-2-1-10(11)12(17)7-3-8(14)5-9(15)4-7/h1-6H.
What are the key properties of (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone?
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone has a molecular weight of 253.64 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 105095200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).