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

C13H11Cl2N3O3 — CID 103292790

IUPAC5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11Cl2N3O3/c1-21-12-4-2-3-10(15)9(12)7-17-13-11(18(19)20)5-8(14)6-16-13/h2-6H,7H2,1H3,(H,16,17)
InChIKeyJWRULFXGIAVODX-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.92
Rot. Bonds5

About 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine

5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine (PubChem CID 103292790) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
PubChem CID103292790
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
SMILESCOc1cccc(Cl)c1CNc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11Cl2N3O3/c1-21-12-4-2-3-10(15)9(12)7-17-13-11(18(19)20)5-8(14)6-16-13/h2-6H,7H2,1H3,(H,16,17)
InChIKeyJWRULFXGIAVODX-UHFFFAOYSA-N
XLogP3.92
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.92
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

3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
6-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 103293213
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 103821386
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-nitroaniline
CID 104815786
4-N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 103293672
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 104815836
5-chloro-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 133445726
2-[[(5-chloro-3-nitro-2-pyridinyl)amino]methyl]phenol
CID 115747014
N-[(4-aminophenyl)methyl]-5-chloro-3-nitropyridin-2-amine
CID 116650490
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
5-chloro-3-nitro-N-(pyrimidin-4-ylmethyl)pyridin-2-amine
CID 114111474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine (CID 103292790) is 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine is COc1cccc(Cl)c1CNc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is JWRULFXGIAVODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-21-12-4-2-3-10(15)9(12)7-17-13-11(18(19)20)5-8(14)6-16-13/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine?
5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 328.16 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 103292790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).