(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone

C12H6Cl2FNO — CID 105394341

IUPAC(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H6Cl2FNO/c13-10-3-2-8(15)5-9(10)12(17)7-1-4-11(14)16-6-7/h1-6H
InChIKeyKDYGCCLBGIKPOI-UHFFFAOYSA-N
MW270.09 g/mol
LogP3.76
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone

(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone (PubChem CID 105394341) has the molecular formula C12H6Cl2FNO and a molecular weight of 270.09 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
PubChem CID105394341
Molecular FormulaC12H6Cl2FNO
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
SMILESO=C(c1ccc(Cl)nc1)c1cc(F)ccc1Cl
InChIInChI=1S/C12H6Cl2FNO/c13-10-3-2-8(15)5-9(10)12(17)7-1-4-11(14)16-6-7/h1-6H
InChIKeyKDYGCCLBGIKPOI-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
CID 105396670
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
(4-bromo-3-chloro-2-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 106761864
2-(4-chloro-3-fluorophenyl)-1-(6-chloro-3-pyridinyl)ethanone
CID 114012626
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
CID 105396790
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
6-chloropyridine-3-carboxylate
CID 6933309
(2-chloro-5-fluorophenyl)-(4-methyl-3-nitrophenyl)methanone
CID 177201657
(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57156068

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone (CID 105394341) is (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone is O=C(c1ccc(Cl)nc1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
The InChIKey is KDYGCCLBGIKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO/c13-10-3-2-8(15)5-9(10)12(17)7-1-4-11(14)16-6-7/h1-6H.
What are the key properties of (2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone?
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone has a molecular weight of 270.09 g/mol, XLogP of 3.76, 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)-(6-chloro-3-pyridinyl)methanone is sourced from PubChem (CID 105394341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).