2-(5-chloro-2-cyanoanilino)acetic acid

C9H7ClN2O2 — CID 63081728

IUPAC2-(5-chloro-2-cyanoanilino)acetic acid
SMILESN#Cc1ccc(Cl)cc1NCC(=O)O
InChIInChI=1S/C9H7ClN2O2/c10-7-2-1-6(4-11)8(3-7)12-5-9(13)14/h1-3,12H,5H2,(H,13,14)
InChIKeyJVLCRZDGWMGAHT-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.71
Rot. Bonds3

About 2-(5-chloro-2-cyanoanilino)acetic acid

2-(5-chloro-2-cyanoanilino)acetic acid (PubChem CID 63081728) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)acetic acid
PubChem CID63081728
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(5-chloro-2-cyanoanilino)acetic acid
SMILESN#Cc1ccc(Cl)cc1NCC(=O)O
InChIInChI=1S/C9H7ClN2O2/c10-7-2-1-6(4-11)8(3-7)12-5-9(13)14/h1-3,12H,5H2,(H,13,14)
InChIKeyJVLCRZDGWMGAHT-UHFFFAOYSA-N
XLogP1.71
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
4-chloro-2-(2-methylidenebutylamino)benzonitrile
CID 66044755
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
4-chloro-2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzonitrile
CID 60723145
4-(5-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80540426
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
3-(5-chloro-2-cyanoanilino)-2-hydroxypropanamide
CID 106170864
5-(5-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60708253
2-[(5-chloro-2-cyanoanilino)methyl]benzoic acid
CID 103252963
2-(benzylamino)-4-chlorobenzonitrile
CID 43681577

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)acetic acid?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)acetic acid (CID 63081728) is 2-(5-chloro-2-cyanoanilino)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)acetic acid?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)acetic acid is N#Cc1ccc(Cl)cc1NCC(=O)O.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)acetic acid?
The InChIKey is JVLCRZDGWMGAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-2-1-6(4-11)8(3-7)12-5-9(13)14/h1-3,12H,5H2,(H,13,14).
What are the key properties of 2-(5-chloro-2-cyanoanilino)acetic acid?
2-(5-chloro-2-cyanoanilino)acetic acid has a molecular weight of 210.62 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanoanilino)acetic acid is sourced from PubChem (CID 63081728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).