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

C12H10ClN3O2 — CID 43330303

IUPAC6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine
SMILESCc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10ClN3O2/c1-8-2-4-9(5-3-8)14-12-10(16(17)18)6-7-11(13)15-12/h2-7H,1H3,(H,14,15)
InChIKeyDNRIFDYLLLONGN-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.70
Rot. Bonds3

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

6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine (PubChem CID 43330303) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine
PubChem CID43330303
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine
SMILESCc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10ClN3O2/c1-8-2-4-9(5-3-8)14-12-10(16(17)18)6-7-11(13)15-12/h2-7H,1H3,(H,14,15)
InChIKeyDNRIFDYLLLONGN-UHFFFAOYSA-N
XLogP3.70
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine (CID 43330303) is 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine is Cc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine?
The InChIKey is DNRIFDYLLLONGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-8-2-4-9(5-3-8)14-12-10(16(17)18)6-7-11(13)15-12/h2-7H,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine?
6-chloro-N-(4-methylphenyl)-3-nitropyridin-2-amine has a molecular weight of 263.68 g/mol, XLogP of 3.70, 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-methylphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 43330303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).