2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid

C10H9ClN2O2 — CID 134655781

IUPAC2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid
SMILESN#Cc1cc(CN)cc(Cl)c1CC(=O)O
InChIInChI=1S/C10H9ClN2O2/c11-9-2-6(4-12)1-7(5-13)8(9)3-10(14)15/h1-2H,3-4,12H2,(H,14,15)
InChIKeyMGERFMDTZUZWOO-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.30
Rot. Bonds3

About 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid

2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid (PubChem CID 134655781) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid
PubChem CID134655781
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid
SMILESN#Cc1cc(CN)cc(Cl)c1CC(=O)O
InChIInChI=1S/C10H9ClN2O2/c11-9-2-6(4-12)1-7(5-13)8(9)3-10(14)15/h1-2H,3-4,12H2,(H,14,15)
InChIKeyMGERFMDTZUZWOO-UHFFFAOYSA-N
XLogP1.30
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(aminomethyl)-3-chloro-5-cyanophenyl]acetate
CID 134658174
5-(aminomethyl)-2-bromo-3-chlorobenzonitrile
CID 171012664
2-(2-amino-6-chloro-3-cyanophenyl)acetic acid
CID 171021483
2-(2,6-dichloro-3-cyanophenyl)acetic acid
CID 121278950
2-(4-amino-5-chloro-2-cyanophenyl)acetic acid
CID 171021426
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-(aminomethyl)-5-bromo-3-chlorobenzonitrile
CID 171013590
4-(aminomethyl)-2-cyano-6-hydroxybenzoic acid
CID 118844827
methyl 2-[4-(aminomethyl)-2-cyano-6-methylphenyl]acetate
CID 134635179
2-(4-chloro-2-cyano-6-nitrophenyl)acetic acid
CID 118828134
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
4-(aminomethyl)-2-cyano-6-nitrobenzoic acid
CID 134651927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid (CID 134655781) is 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid is N#Cc1cc(CN)cc(Cl)c1CC(=O)O.
What is the InChIKey of 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid?
The InChIKey is MGERFMDTZUZWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-9-2-6(4-12)1-7(5-13)8(9)3-10(14)15/h1-2H,3-4,12H2,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid?
2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid has a molecular weight of 224.65 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-chloro-6-cyanophenyl]acetic acid is sourced from PubChem (CID 134655781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).