2-amino-6-chloro-4-nitrobenzoic acid

C7H5ClN2O4 — CID 130744203

IUPAC2-amino-6-chloro-4-nitrobenzoic acid
SMILESNc1cc([N+](=O)[O-])cc(Cl)c1C(=O)O
InChIInChI=1S/C7H5ClN2O4/c8-4-1-3(10(13)14)2-5(9)6(4)7(11)12/h1-2H,9H2,(H,11,12)
InChIKeyGYZTWEPXWCEJJS-UHFFFAOYSA-N
MW216.58 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-6-chloro-4-nitrobenzoic acid

2-amino-6-chloro-4-nitrobenzoic acid (PubChem CID 130744203) has the molecular formula C7H5ClN2O4 and a molecular weight of 216.58 g/mol. Its IUPAC name is 2-amino-6-chloro-4-nitrobenzoic acid.

Molecular Properties

Compound Name2-amino-6-chloro-4-nitrobenzoic acid
PubChem CID130744203
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58 g/mol
Exact Mass215.99
IUPAC Name2-amino-6-chloro-4-nitrobenzoic acid
SMILESNc1cc([N+](=O)[O-])cc(Cl)c1C(=O)O
InChIInChI=1S/C7H5ClN2O4/c8-4-1-3(10(13)14)2-5(9)6(4)7(11)12/h1-2H,9H2,(H,11,12)
InChIKeyGYZTWEPXWCEJJS-UHFFFAOYSA-N
XLogP1.53
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.58
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2,6-dichloro-4-nitroaniline;molecular chlorine
CID 20849384
2,4,6-trinitrobenzoic acid
CID 8518
2-amino-6-chloro-4-nitrobenzonitrile
CID 171015340
azane;2,4,6-trinitrobenzoic acid
CID 173315139
potassium 2-chloro-4-nitrobenzoic acid
CID 23673793
methyl 4-amino-2-chloro-6-methylbenzoate;methyl 2,6-dichloro-4-nitrobenzoate
CID 160953630
3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
(2,3-dichloro-5-nitrophenyl)boronic acid
CID 164643631
CID 161054765
CID 161054765
5-(2,6-dichloro-4-nitrophenyl)furan-2-carboxylic acid
CID 745871

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-nitrobenzoic acid?
The IUPAC name of 2-amino-6-chloro-4-nitrobenzoic acid (CID 130744203) is 2-amino-6-chloro-4-nitrobenzoic acid.
What is the SMILES notation for 2-amino-6-chloro-4-nitrobenzoic acid?
The canonical SMILES for 2-amino-6-chloro-4-nitrobenzoic acid is Nc1cc([N+](=O)[O-])cc(Cl)c1C(=O)O.
What is the InChIKey of 2-amino-6-chloro-4-nitrobenzoic acid?
The InChIKey is GYZTWEPXWCEJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4/c8-4-1-3(10(13)14)2-5(9)6(4)7(11)12/h1-2H,9H2,(H,11,12).
What are the key properties of 2-amino-6-chloro-4-nitrobenzoic acid?
2-amino-6-chloro-4-nitrobenzoic acid has a molecular weight of 216.58 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-nitrobenzoic acid is sourced from PubChem (CID 130744203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).