(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone

C12H7ClFNO — CID 112694365

IUPAC(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H7ClFNO/c13-11-4-3-9(14)6-10(11)12(16)8-2-1-5-15-7-8/h1-7H
InChIKeyDWPFDHFTSDKSPT-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.11
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone

(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone (PubChem CID 112694365) has the molecular formula C12H7ClFNO and a molecular weight of 235.65 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
PubChem CID112694365
Molecular FormulaC12H7ClFNO
Molecular Weight235.65 g/mol
Exact Mass235.02
IUPAC Name(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H7ClFNO/c13-11-4-3-9(14)6-10(11)12(16)8-2-1-5-15-7-8/h1-7H
InChIKeyDWPFDHFTSDKSPT-UHFFFAOYSA-N
XLogP3.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
CID 105396670
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
N-(2-chloro-4-fluorophenyl)-N-fluoropyridine-3-carboxamide
CID 171502142
(2,6-dichlorophenyl)-pyridin-3-ylmethanone
CID 14249700
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
CID 134638287
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
4-chloro-2-(pyridine-3-carbonyl)benzamide
CID 68547822
(2-chloro-4-phenoxyphenyl)-pyridin-3-ylmethanone
CID 175689937
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490
5-fluoro-2-pyridin-3-ylbenzoyl chloride
CID 46315579
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone (CID 112694365) is (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone?
The InChIKey is DWPFDHFTSDKSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO/c13-11-4-3-9(14)6-10(11)12(16)8-2-1-5-15-7-8/h1-7H.
What are the key properties of (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone?
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone has a molecular weight of 235.65 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 112694365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).