2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid

C9H7F2N3O2 — CID 134673432

IUPAC2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1cnc(C(F)F)c(CC(=O)O)c1N
InChIInChI=1S/C9H7F2N3O2/c10-9(11)8-5(1-6(15)16)7(13)4(2-12)3-14-8/h3,9H,1H2,(H2,13,14)(H,15,16)
InChIKeyDGXTWYADXALTHK-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.10
Rot. Bonds3

About 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid

2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 134673432) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID134673432
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1cnc(C(F)F)c(CC(=O)O)c1N
InChIInChI=1S/C9H7F2N3O2/c10-9(11)8-5(1-6(15)16)7(13)4(2-12)3-14-8/h3,9H,1H2,(H2,13,14)(H,15,16)
InChIKeyDGXTWYADXALTHK-UHFFFAOYSA-N
XLogP1.10
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119023577
2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118816063
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118799601
ethyl 2-[3-bromo-5-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029566
2-[5-amino-3-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130107704
2-[2-amino-3-cyano-6-(difluoromethoxy)phenyl]acetic acid
CID 171022267
2-(2-amino-3-cyano-6-fluorophenyl)acetic acid
CID 171011236
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid (CID 134673432) is 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid is N#Cc1cnc(C(F)F)c(CC(=O)O)c1N.
What is the InChIKey of 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is DGXTWYADXALTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c10-9(11)8-5(1-6(15)16)7(13)4(2-12)3-14-8/h3,9H,1H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 227.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 134673432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).