(2,5-dichloro-4-pyridinyl)-phenylmethanone

C12H7Cl2NO — CID 6421230

IUPAC(2,5-dichloro-4-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-10-7-15-11(14)6-9(10)12(16)8-4-2-1-3-5-8/h1-7H
InChIKeyMPGTWOBJHXAXOG-UHFFFAOYSA-N
MW252.10 g/mol
LogP3.62
Rot. Bonds2

About (2,5-dichloro-4-pyridinyl)-phenylmethanone

(2,5-dichloro-4-pyridinyl)-phenylmethanone (PubChem CID 6421230) has the molecular formula C12H7Cl2NO and a molecular weight of 252.10 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-phenylmethanone
PubChem CID6421230
Molecular FormulaC12H7Cl2NO
Molecular Weight252.10 g/mol
Exact Mass250.99
IUPAC Name(2,5-dichloro-4-pyridinyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ncc1Cl
InChIInChI=1S/C12H7Cl2NO/c13-10-7-15-11(14)6-9(10)12(16)8-4-2-1-3-5-8/h1-7H
InChIKeyMPGTWOBJHXAXOG-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-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
CID 159095928
2,5-dichloro-N-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917538
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
[2-chloro-5-(methylamino)phenyl]-phenylmethanone
CID 21314189
2,5-dichloro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 114918295
(2-chloro-4,5-diethoxyphenyl)-phenylmethanone
CID 43340750
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
4-benzoylbenzenecarbothioyl chloride
CID 163969608
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
2,5-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107860871
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-phenylmethanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-phenylmethanone (CID 6421230) is (2,5-dichloro-4-pyridinyl)-phenylmethanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-phenylmethanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)ncc1Cl.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-phenylmethanone?
The InChIKey is MPGTWOBJHXAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO/c13-10-7-15-11(14)6-9(10)12(16)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (2,5-dichloro-4-pyridinyl)-phenylmethanone?
(2,5-dichloro-4-pyridinyl)-phenylmethanone 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 (2,5-dichloro-4-pyridinyl)-phenylmethanone is sourced from PubChem (CID 6421230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).