2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid

C10H9F2N3O2 — CID 133106969

IUPAC2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1cc(CC(=O)O)nc(C(F)F)c1CN
InChIInChI=1S/C10H9F2N3O2/c11-10(12)9-7(4-14)5(3-13)1-6(15-9)2-8(16)17/h1,10H,2,4,14H2,(H,16,17)
InChIKeyAHFGBSLSJMAGBP-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.98
Rot. Bonds4

About 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid

2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 133106969) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID133106969
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESN#Cc1cc(CC(=O)O)nc(C(F)F)c1CN
InChIInChI=1S/C10H9F2N3O2/c11-10(12)9-7(4-14)5(3-13)1-6(15-9)2-8(16)17/h1,10H,2,4,14H2,(H,16,17)
InChIKeyAHFGBSLSJMAGBP-UHFFFAOYSA-N
XLogP0.98
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106523
2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071417
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
2-[6-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetic acid
CID 118999551
6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
CID 130078176
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid (CID 133106969) is 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid is N#Cc1cc(CC(=O)O)nc(C(F)F)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is AHFGBSLSJMAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-10(12)9-7(4-14)5(3-13)1-6(15-9)2-8(16)17/h1,10H,2,4,14H2,(H,16,17).
What are the key properties of 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 241.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133106969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).