6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine

C11H7Cl2N3O2 — CID 43330290

IUPAC6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2N3O2/c12-7-1-3-8(4-2-7)14-11-9(16(17)18)5-6-10(13)15-11/h1-6H,(H,14,15)
InChIKeyRORIMCAWIPIESN-UHFFFAOYSA-N
MW284.10 g/mol
LogP4.04
Rot. Bonds3

About 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine

6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine (PubChem CID 43330290) has the molecular formula C11H7Cl2N3O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
PubChem CID43330290
Molecular FormulaC11H7Cl2N3O2
Molecular Weight284.10 g/mol
Exact Mass282.99
IUPAC Name6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl2N3O2/c12-7-1-3-8(4-2-7)14-11-9(16(17)18)5-6-10(13)15-11/h1-6H,(H,14,15)
InChIKeyRORIMCAWIPIESN-UHFFFAOYSA-N
XLogP4.04
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 54.04
H-Bond Donors ≤ 51
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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Related Compounds

1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617217
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067
6-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 43330264
N-(3-bromo-4-fluorophenyl)-6-chloro-3-nitropyridin-2-amine
CID 113452360
1-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366553
6-chloro-N-[4-(difluoromethoxy)phenyl]-3-nitropyridin-2-amine
CID 43330240
6-chloro-N-(2,5-difluorophenyl)-3-nitropyridin-2-amine
CID 43330260
N-(1,3-benzodioxol-5-yl)-6-chloro-3-nitropyridin-2-amine
CID 21329321
1-N-(6-chloro-3-nitro-2-pyridinyl)-4-N-ethyl-4-N-(2-fluoroethyl)benzene-1,4-diamine
CID 140572053
6-chloro-N-(3-fluoro-4-piperidin-1-ylphenyl)-3-nitropyridin-2-amine
CID 88545924
N-(6-chloro-3-nitro-2-pyridinyl)-2-methyl-1,3-benzoxazol-5-amine
CID 146338657
6-chloro-N-(4-chlorophenyl)-3-fluoropyridin-2-amine
CID 90134265

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine (CID 43330290) is 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine is O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine?
The InChIKey is RORIMCAWIPIESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2/c12-7-1-3-8(4-2-7)14-11-9(16(17)18)5-6-10(13)15-11/h1-6H,(H,14,15).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine?
6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine has a molecular weight of 284.10 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 43330290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).