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

C13H12ClN3O3 — CID 24903327

IUPAC4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccccc1CNc1nccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O3/c1-20-11-5-3-2-4-9(11)8-16-13-12(17(18)19)10(14)6-7-15-13/h2-7H,8H2,1H3,(H,15,16)
InChIKeyDNSSAGKVNGYYDL-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.26
Rot. Bonds5

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

4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine (PubChem CID 24903327) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
PubChem CID24903327
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1ccccc1CNc1nccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H12ClN3O3/c1-20-11-5-3-2-4-9(11)8-16-13-12(17(18)19)10(14)6-7-15-13/h2-7H,8H2,1H3,(H,15,16)
InChIKeyDNSSAGKVNGYYDL-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

4-chloro-3-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 24903149
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
4-N,6-N-bis[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22538950
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitroaniline
CID 43425474
2-chloro-N-[(2-methoxyphenyl)methyl]-4-nitroaniline
CID 3488251
2-chloro-N-[(2-methoxyphenyl)methyl]-5-nitroaniline
CID 43718821
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 103821386
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine (CID 24903327) is 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine is COc1ccccc1CNc1nccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is DNSSAGKVNGYYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-20-11-5-3-2-4-9(11)8-16-13-12(17(18)19)10(14)6-7-15-13/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-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 4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 24903327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).