2-(6-amino-2-chloro-3-cyanophenyl)acetic acid

C9H7ClN2O2 — CID 171021725

IUPAC2-(6-amino-2-chloro-3-cyanophenyl)acetic acid
SMILESN#Cc1ccc(N)c(CC(=O)O)c1Cl
InChIInChI=1S/C9H7ClN2O2/c10-9-5(4-11)1-2-7(12)6(9)3-8(13)14/h1-2H,3,12H2,(H,13,14)
InChIKeyUCLWHLRFRPIPPK-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.42
Rot. Bonds2

About 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid

2-(6-amino-2-chloro-3-cyanophenyl)acetic acid (PubChem CID 171021725) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid.

Molecular Properties

Compound Name2-(6-amino-2-chloro-3-cyanophenyl)acetic acid
PubChem CID171021725
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(6-amino-2-chloro-3-cyanophenyl)acetic acid
SMILESN#Cc1ccc(N)c(CC(=O)O)c1Cl
InChIInChI=1S/C9H7ClN2O2/c10-9-5(4-11)1-2-7(12)6(9)3-8(13)14/h1-2H,3,12H2,(H,13,14)
InChIKeyUCLWHLRFRPIPPK-UHFFFAOYSA-N
XLogP1.42
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichloro-3-cyanophenyl)acetic acid
CID 121278950
2-(2-amino-6-chloro-3-cyanophenyl)acetic acid
CID 171021483
6-amino-2-chloro-3-cyanobenzoic acid
CID 171018725
2-[2-chloro-3-(chloromethyl)-4-cyanophenyl]acetic acid
CID 131469105
2-[6-chloro-2-(chloromethyl)-3-cyanophenyl]acetic acid
CID 131479799
4-amino-2-chloro-3-(2-chloroacetyl)benzonitrile
CID 171021852
2-(2-amino-3-cyano-6-fluorophenyl)acetic acid
CID 171011236
2-(2-bromo-6-chloro-3-cyanophenyl)acetic acid
CID 119021333
2-(4-amino-5-chloro-2-cyanophenyl)acetic acid
CID 171021426
2-(3-chloro-4-cyano-2-nitrophenyl)acetic acid
CID 131611729
2-(3-amino-6-bromo-2-chlorophenyl)acetic acid
CID 131299170
2-[6-(chloromethyl)-3-cyano-2-sulfanylphenyl]acetic acid
CID 134640354

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid?
The IUPAC name of 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid (CID 171021725) is 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid.
What is the SMILES notation for 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid?
The canonical SMILES for 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid is N#Cc1ccc(N)c(CC(=O)O)c1Cl.
What is the InChIKey of 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid?
The InChIKey is UCLWHLRFRPIPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-9-5(4-11)1-2-7(12)6(9)3-8(13)14/h1-2H,3,12H2,(H,13,14).
What are the key properties of 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid?
2-(6-amino-2-chloro-3-cyanophenyl)acetic acid has a molecular weight of 210.62 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-chloro-3-cyanophenyl)acetic acid is sourced from PubChem (CID 171021725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).