6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine

C12H10ClN3O3 — CID 2842435

IUPAC6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1ccccc1Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O3/c1-19-10-5-3-2-4-8(10)14-12-9(16(17)18)6-7-11(13)15-12/h2-7H,1H3,(H,14,15)
InChIKeyPCQWUSKKLBNBKJ-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine

6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine (PubChem CID 2842435) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
PubChem CID2842435
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine
SMILESCOc1ccccc1Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H10ClN3O3/c1-19-10-5-3-2-4-8(10)14-12-9(16(17)18)6-7-11(13)15-12/h2-7H,1H3,(H,14,15)
InChIKeyPCQWUSKKLBNBKJ-UHFFFAOYSA-N
XLogP3.40
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyphenyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine (CID 2842435) is 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine is COc1ccccc1Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
The InChIKey is PCQWUSKKLBNBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-19-10-5-3-2-4-8(10)14-12-9(16(17)18)6-7-11(13)15-12/h2-7H,1H3,(H,14,15).
What are the key properties of 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine?
6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine has a molecular weight of 279.68 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxyphenyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 2842435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).