(6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone

C12H6Cl2N2O3 — CID 3016653

IUPAC(6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2N2O3/c13-8-4-2-1-3-7(8)12(17)11-9(16(18)19)5-6-10(14)15-11/h1-6H
InChIKeyBWMAKFKFMNSLGT-UHFFFAOYSA-N
MW297.10 g/mol
LogP3.53
Rot. Bonds3

About (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone

(6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone (PubChem CID 3016653) has the molecular formula C12H6Cl2N2O3 and a molecular weight of 297.10 g/mol. Its IUPAC name is (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone
PubChem CID3016653
Molecular FormulaC12H6Cl2N2O3
Molecular Weight297.10 g/mol
Exact Mass295.98
IUPAC Name(6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2N2O3/c13-8-4-2-1-3-7(8)12(17)11-9(16(18)19)5-6-10(14)15-11/h1-6H
InChIKeyBWMAKFKFMNSLGT-UHFFFAOYSA-N
XLogP3.53
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.10
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone?
The IUPAC name of (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone (CID 3016653) is (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone?
The InChIKey is BWMAKFKFMNSLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O3/c13-8-4-2-1-3-7(8)12(17)11-9(16(18)19)5-6-10(14)15-11/h1-6H.
What are the key properties of (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone?
(6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone has a molecular weight of 297.10 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-nitro-2-pyridinyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 3016653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).