(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone

C12H7Cl2NO — CID 15135631

IUPAC(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-9-5-3-8(4-6-9)11(16)10-2-1-7-15-12(10)14/h1-7H
InChIKeyHIAWOLSEFDFMMY-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.62
Rot. Bonds2

About (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone

(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone (PubChem CID 15135631) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
PubChem CID15135631
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cccnc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-9-5-3-8(4-6-9)11(16)10-2-1-7-15-12(10)14/h1-7H
InChIKeyHIAWOLSEFDFMMY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-(4-chlorobenzoyl)-N,N-dipyridin-2-ylbenzamide
CID 4098418
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
3-(2-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 18331345

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone (CID 15135631) is (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone is O=C(c1ccc(Cl)cc1)c1cccnc1Cl.
What is the InChIKey of (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone?
The InChIKey is HIAWOLSEFDFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-9-5-3-8(4-6-9)11(16)10-2-1-7-15-12(10)14/h1-7H.
What are the key properties of (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone?
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone 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 (4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 15135631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).