2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid

C10H9F2N3O2 — CID 118801084

IUPAC2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1cc(CN)c(CC(=O)O)c(C(F)F)n1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)9-7(2-8(16)17)5(3-13)1-6(4-14)15-9/h1,10H,2-3,13H2,(H,16,17)
InChIKeyUZSCDISDJBRPFL-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.98
Rot. Bonds4

About 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid

2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118801084) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118801084
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1cc(CN)c(CC(=O)O)c(C(F)F)n1
InChIInChI=1S/C10H9F2N3O2/c11-10(12)9-7(2-8(16)17)5(3-13)1-6(4-14)15-9/h1,10H,2-3,13H2,(H,16,17)
InChIKeyUZSCDISDJBRPFL-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

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Related Compounds

2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118812910
2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
2-[5-(bromomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106578

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid (CID 118801084) is 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid is N#Cc1cc(CN)c(CC(=O)O)c(C(F)F)n1.
What is the InChIKey of 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is UZSCDISDJBRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-10(12)9-7(2-8(16)17)5(3-13)1-6(4-14)15-9/h1,10H,2-3,13H2,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-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-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118801084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).