3-amino-2-chloro-6-fluorobenzoic acid

C7H5ClFNO2 — CID 66841192

IUPAC3-amino-2-chloro-6-fluorobenzoic acid
SMILESNc1ccc(F)c(C(=O)O)c1Cl
InChIInChI=1S/C7H5ClFNO2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyIWIKIGOVSHEYLM-UHFFFAOYSA-N
MW189.57 g/mol
LogP1.76
Rot. Bonds1

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

3-amino-2-chloro-6-fluorobenzoic acid (PubChem CID 66841192) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 3-amino-2-chloro-6-fluorobenzoic acid.

Molecular Properties

Compound Name3-amino-2-chloro-6-fluorobenzoic acid
PubChem CID66841192
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name3-amino-2-chloro-6-fluorobenzoic acid
SMILESNc1ccc(F)c(C(=O)O)c1Cl
InChIInChI=1S/C7H5ClFNO2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyIWIKIGOVSHEYLM-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2-chloro-6-fluorophenyl)ethanone
CID 83410231
3-amino-6-fluorophthalic acid
CID 142417413
3-amino-6-fluoro-2-iodobenzoic acid
CID 131563982
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
propan-2-yl 3-amino-2-chloro-6-fluorobenzoate
CID 135395557
2-(aminomethyl)-3,6-difluorobenzoic acid
CID 115017213
2-amino-4-fluorobenzene-1,3-dicarboxylic acid
CID 121254589
6-amino-2-cyano-3-fluorobenzoic acid
CID 171011234
2-chloro-4-fluoro-3-methylaniline
CID 13251510
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
4-amino-3-chloro-2-hydroxybenzoic acid
CID 54442590

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-6-fluorobenzoic acid?
The IUPAC name of 3-amino-2-chloro-6-fluorobenzoic acid (CID 66841192) is 3-amino-2-chloro-6-fluorobenzoic acid.
What is the SMILES notation for 3-amino-2-chloro-6-fluorobenzoic acid?
The canonical SMILES for 3-amino-2-chloro-6-fluorobenzoic acid is Nc1ccc(F)c(C(=O)O)c1Cl.
What is the InChIKey of 3-amino-2-chloro-6-fluorobenzoic acid?
The InChIKey is IWIKIGOVSHEYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c8-6-4(10)2-1-3(9)5(6)7(11)12/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-2-chloro-6-fluorobenzoic acid?
3-amino-2-chloro-6-fluorobenzoic acid has a molecular weight of 189.57 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-6-fluorobenzoic acid is sourced from PubChem (CID 66841192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).