2-amino-3-chloro-6-methylbenzoic acid

C8H8ClNO2 — CID 71755590

IUPAC2-amino-3-chloro-6-methylbenzoic acid
SMILESCc1ccc(Cl)c(N)c1C(=O)O
InChIInChI=1S/C8H8ClNO2/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKeyYUABVKAESFPLEF-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.93
Rot. Bonds1

About 2-amino-3-chloro-6-methylbenzoic acid

2-amino-3-chloro-6-methylbenzoic acid (PubChem CID 71755590) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-amino-3-chloro-6-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-3-chloro-6-methylbenzoic acid
PubChem CID71755590
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-amino-3-chloro-6-methylbenzoic acid
SMILESCc1ccc(Cl)c(N)c1C(=O)O
InChIInChI=1S/C8H8ClNO2/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKeyYUABVKAESFPLEF-UHFFFAOYSA-N
XLogP1.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-6-methylbenzoic acid?
The IUPAC name of 2-amino-3-chloro-6-methylbenzoic acid (CID 71755590) is 2-amino-3-chloro-6-methylbenzoic acid.
What is the SMILES notation for 2-amino-3-chloro-6-methylbenzoic acid?
The canonical SMILES for 2-amino-3-chloro-6-methylbenzoic acid is Cc1ccc(Cl)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-3-chloro-6-methylbenzoic acid?
The InChIKey is YUABVKAESFPLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-chloro-6-methylbenzoic acid?
2-amino-3-chloro-6-methylbenzoic acid has a molecular weight of 185.61 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-6-methylbenzoic acid is sourced from PubChem (CID 71755590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).