6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine

C13H12ClN3O3 — CID 62003081

IUPAC6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H12ClN3O3/c1-16(9-3-5-10(20-2)6-4-9)13-11(17(18)19)7-8-12(14)15-13/h3-8H,1-2H3
InChIKeyNNFFCNXWOQKTKE-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.42
Rot. Bonds4

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

6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine (PubChem CID 62003081) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
PubChem CID62003081
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H12ClN3O3/c1-16(9-3-5-10(20-2)6-4-9)13-11(17(18)19)7-8-12(14)15-13/h3-8H,1-2H3
InChIKeyNNFFCNXWOQKTKE-UHFFFAOYSA-N
XLogP3.42
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
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'}

Analyze 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-5-nitropyridin-2-amine
CID 2848906
1-(4-Methoxyphenyl)-4-(6-nitropyridin-3-yl)piperazine
CID 4877616
N~4~-(4-methoxyphenyl)-N~2~-methyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine
CID 4656900
6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 71523843
N~4~-(4-methoxyphenyl)-N~2~,6-dimethyl-5-nitro-2,4-pyrimidinediamine
CID 2840974
2-(4-Methoxyphenylamino)-6-chloro-3-nitropyridine
CID 43152659
6-chloro-N-(4-ethoxyphenyl)-3-nitropyridin-2-amine
CID 43330269
N-(4-methoxyphenyl)-3-nitropyridin-2-amine
CID 4197917
6-chloro-3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 70691177
N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine
CID 71523737
6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
CID 71523738
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 71523739

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine (CID 62003081) is 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine is COc1ccc(N(C)c2nc(Cl)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
The InChIKey is NNFFCNXWOQKTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-16(9-3-5-10(20-2)6-4-9)13-11(17(18)19)7-8-12(14)15-13/h3-8H,1-2H3.
What are the key properties of 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine has a molecular weight of 293.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 62003081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).