(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone

C12H6F3NO — CID 79723476

IUPAC(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(F)cn1
InChIInChI=1S/C12H6F3NO/c13-8-1-2-11(16-6-8)12(17)7-3-9(14)5-10(15)4-7/h1-6H
InChIKeyABASFBBOFKJCEJ-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.73
Rot. Bonds2

About (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone

(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 79723476) has the molecular formula C12H6F3NO and a molecular weight of 237.18 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID79723476
Molecular FormulaC12H6F3NO
Molecular Weight237.18 g/mol
Exact Mass237.04
IUPAC Name(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)c1ccc(F)cn1
InChIInChI=1S/C12H6F3NO/c13-8-1-2-11(16-6-8)12(17)7-3-9(14)5-10(15)4-7/h1-6H
InChIKeyABASFBBOFKJCEJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
CID 59627441
(5-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 79723230
(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 107559897
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
bis(3,5-difluorophenyl)methanone
CID 2760569
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-2-pyridinyl)methanone
CID 79722939
(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 114518914
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
(5-fluoro-2-pyridinyl)-(2-methylphenyl)methanone
CID 79722365
(5-fluoro-2-pyridinyl)-(3-methylthiophen-2-yl)methanone
CID 79992482
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
(5-fluoro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515011

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone (CID 79723476) is (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone is O=C(c1cc(F)cc(F)c1)c1ccc(F)cn1.
What is the InChIKey of (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is ABASFBBOFKJCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO/c13-8-1-2-11(16-6-8)12(17)7-3-9(14)5-10(15)4-7/h1-6H.
What are the key properties of (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone?
(3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 237.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 79723476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).