(2,6-dichlorophenyl)-pyridin-3-ylmethanone

C12H7Cl2NO — CID 14249700

IUPAC(2,6-dichlorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-9-4-1-5-10(14)11(9)12(16)8-3-2-6-15-7-8/h1-7H
InChIKeyWHHRWDMYTOBUAV-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.62
Rot. Bonds2

About (2,6-dichlorophenyl)-pyridin-3-ylmethanone

(2,6-dichlorophenyl)-pyridin-3-ylmethanone (PubChem CID 14249700) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-pyridin-3-ylmethanone
PubChem CID14249700
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name(2,6-dichlorophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-9-4-1-5-10(14)11(9)12(16)8-3-2-6-15-7-8/h1-7H
InChIKeyWHHRWDMYTOBUAV-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(4-chloro-3-iodophenyl)-pyridin-3-ylmethanone
CID 134638287
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
CID 131854915
CID 131854915
nickel;pyridine-3-carboxylic acid
CID 174049937
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
2,2-diamino-1-pyridin-3-ylethanone
CID 174594045

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (2,6-dichlorophenyl)-pyridin-3-ylmethanone (CID 14249700) is (2,6-dichlorophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (2,6-dichlorophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (2,6-dichlorophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-pyridin-3-ylmethanone?
The InChIKey is WHHRWDMYTOBUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-9-4-1-5-10(14)11(9)12(16)8-3-2-6-15-7-8/h1-7H.
What are the key properties of (2,6-dichlorophenyl)-pyridin-3-ylmethanone?
(2,6-dichlorophenyl)-pyridin-3-ylmethanone has a molecular weight of 252.10 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-pyridin-3-ylmethanone is sourced from PubChem (CID 14249700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).