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

C13H12ClN3O3 — CID 103292899

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
SMILESCOc1cccc(Cl)c1CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C13H12ClN3O3/c1-20-12-4-2-3-11(14)10(12)8-15-9-5-6-13(16-7-9)17(18)19/h2-7,15H,8H2,1H3
InChIKeyHFTMVQQJFVJLKB-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.26
Rot. Bonds5

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

N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine (PubChem CID 103292899) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
PubChem CID103292899
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
SMILESCOc1cccc(Cl)c1CNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C13H12ClN3O3/c1-20-12-4-2-3-11(14)10(12)8-15-9-5-6-13(16-7-9)17(18)19/h2-7,15H,8H2,1H3
InChIKeyHFTMVQQJFVJLKB-UHFFFAOYSA-N
XLogP3.26
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103292790
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbothioamide
CID 103292610
6-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103293213
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylsulfonylaniline
CID 133475336
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 104815836
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-nitroaniline
CID 104815786
N-benzyl-6-nitropyridin-3-amine
CID 55024435
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine (CID 103292899) is N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine is COc1cccc(Cl)c1CNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine?
The InChIKey is HFTMVQQJFVJLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-20-12-4-2-3-11(14)10(12)8-15-9-5-6-13(16-7-9)17(18)19/h2-7,15H,8H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine has a molecular weight of 293.71 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 103292899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).