2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine

C11H9ClN4O3 — CID 22597420

IUPAC2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine
SMILESCOc1ccc(Nc2ccnc(Cl)c2[N+](=O)[O-])cn1
InChIInChI=1S/C11H9ClN4O3/c1-19-9-3-2-7(6-14-9)15-8-4-5-13-11(12)10(8)16(17)18/h2-6H,1H3,(H,13,15)
InChIKeyNPGZVMHBKNEWSA-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.79
Rot. Bonds4

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

2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine (PubChem CID 22597420) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine
PubChem CID22597420
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine
SMILESCOc1ccc(Nc2ccnc(Cl)c2[N+](=O)[O-])cn1
InChIInChI=1S/C11H9ClN4O3/c1-19-9-3-2-7(6-14-9)15-8-4-5-13-11(12)10(8)16(17)18/h2-6H,1H3,(H,13,15)
InChIKeyNPGZVMHBKNEWSA-UHFFFAOYSA-N
XLogP2.79
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine?
The IUPAC name of 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine (CID 22597420) is 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine?
The canonical SMILES for 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine is COc1ccc(Nc2ccnc(Cl)c2[N+](=O)[O-])cn1.
What is the InChIKey of 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine?
The InChIKey is NPGZVMHBKNEWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-19-9-3-2-7(6-14-9)15-8-4-5-13-11(12)10(8)16(17)18/h2-6H,1H3,(H,13,15).
What are the key properties of 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine?
2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine has a molecular weight of 280.67 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methoxy-3-pyridinyl)-3-nitropyridin-4-amine is sourced from PubChem (CID 22597420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).