bis(6-chloro-2-pyridinyl)methanone

C11H6Cl2N2O — CID 102384352

IUPACbis(6-chloro-2-pyridinyl)methanone
SMILESO=C(c1cccc(Cl)n1)c1cccc(Cl)n1
InChIInChI=1S/C11H6Cl2N2O/c12-9-5-1-3-7(14-9)11(16)8-4-2-6-10(13)15-8/h1-6H
InChIKeyCIUSSGRCANOYAF-UHFFFAOYSA-N
MW253.09 g/mol
LogP3.01
Rot. Bonds2

About bis(6-chloro-2-pyridinyl)methanone

bis(6-chloro-2-pyridinyl)methanone (PubChem CID 102384352) has the molecular formula C11H6Cl2N2O and a molecular weight of 253.09 g/mol. Its IUPAC name is bis(6-chloro-2-pyridinyl)methanone.

Molecular Properties

Compound Namebis(6-chloro-2-pyridinyl)methanone
PubChem CID102384352
Molecular FormulaC11H6Cl2N2O
Molecular Weight253.09 g/mol
Exact Mass251.99
IUPAC Namebis(6-chloro-2-pyridinyl)methanone
SMILESO=C(c1cccc(Cl)n1)c1cccc(Cl)n1
InChIInChI=1S/C11H6Cl2N2O/c12-9-5-1-3-7(14-9)11(16)8-4-2-6-10(13)15-8/h1-6H
InChIKeyCIUSSGRCANOYAF-UHFFFAOYSA-N
XLogP3.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
tert-butyl 6-chloropyridine-2-carboxylate
CID 53217451
2-chloro-6-(3-methylbut-2-en-2-yl)pyridine
CID 59497733
4-(6-chloropyridine-2-carbonyl)-3-fluorobenzonitrile
CID 175517371
6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115599468
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 22336276
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157

Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-2-pyridinyl)methanone?
The IUPAC name of bis(6-chloro-2-pyridinyl)methanone (CID 102384352) is bis(6-chloro-2-pyridinyl)methanone.
What is the SMILES notation for bis(6-chloro-2-pyridinyl)methanone?
The canonical SMILES for bis(6-chloro-2-pyridinyl)methanone is O=C(c1cccc(Cl)n1)c1cccc(Cl)n1.
What is the InChIKey of bis(6-chloro-2-pyridinyl)methanone?
The InChIKey is CIUSSGRCANOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O/c12-9-5-1-3-7(14-9)11(16)8-4-2-6-10(13)15-8/h1-6H.
What are the key properties of bis(6-chloro-2-pyridinyl)methanone?
bis(6-chloro-2-pyridinyl)methanone has a molecular weight of 253.09 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloro-2-pyridinyl)methanone is sourced from PubChem (CID 102384352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).