2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride

C12H11Cl2N3O3 — CID 19771126

IUPAC2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride
SMILESCl.Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClN3O3.ClH/c13-7-1-4-12(17)11(5-7)15-10-3-2-8(16(18)19)6-9(10)14;/h1-6,15,17H,14H2;1H
InChIKeyOQPZSHIKEMPJIK-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.70
Rot. Bonds3

About 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride

2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride (PubChem CID 19771126) has the molecular formula C12H11Cl2N3O3 and a molecular weight of 316.14 g/mol. Its IUPAC name is 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride
PubChem CID19771126
Molecular FormulaC12H11Cl2N3O3
Molecular Weight316.14 g/mol
Exact Mass315.02
IUPAC Name2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride
SMILESCl.Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C12H10ClN3O3.ClH/c13-7-1-4-12(17)11(5-7)15-10-3-2-8(16(18)19)6-9(10)14;/h1-6,15,17H,14H2;1H
InChIKeyOQPZSHIKEMPJIK-UHFFFAOYSA-N
XLogP3.70
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(5-chloro-2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 62508111
1-N-(3,5-dichlorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079880
ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate
CID 19771102
1-N-(2-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079927
1-N-(2-chloro-5-fluorophenyl)-4-nitrobenzene-1,2-diamine
CID 107526907
2-hydrazinyl-5-nitroaniline
CID 130769325
4-nitro-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 62809315
2-(2-amino-4-nitroanilino)benzonitrile
CID 62506951
1-N-(2,5-dibromophenyl)-4-nitrobenzene-1,2-diamine
CID 62507466
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
1-N-(4-tert-butylphenyl)-4-nitrobenzene-1,2-diamine
CID 62507780
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 127074411

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride?
The IUPAC name of 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride (CID 19771126) is 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride.
What is the SMILES notation for 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride?
The canonical SMILES for 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride is Cl.Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride?
The InChIKey is OQPZSHIKEMPJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3.ClH/c13-7-1-4-12(17)11(5-7)15-10-3-2-8(16(18)19)6-9(10)14;/h1-6,15,17H,14H2;1H.
What are the key properties of 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride?
2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride has a molecular weight of 316.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride is sourced from PubChem (CID 19771126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).