2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid

C8H9F2N3O2 — CID 134684321

IUPAC2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1cc(C(F)F)nc(CC(=O)O)c1N
InChIInChI=1S/C8H9F2N3O2/c9-8(10)5-1-3(11)7(12)4(13-5)2-6(14)15/h1,8H,2,12H2,(H2,11,13)(H,14,15)
InChIKeyPUKINMBWNCRMNO-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.81
Rot. Bonds3

About 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid

2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 134684321) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
PubChem CID134684321
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1cc(C(F)F)nc(CC(=O)O)c1N
InChIInChI=1S/C8H9F2N3O2/c9-8(10)5-1-3(11)7(12)4(13-5)2-6(14)15/h1,8H,2,12H2,(H2,11,13)(H,14,15)
InChIKeyPUKINMBWNCRMNO-UHFFFAOYSA-N
XLogP0.81
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3,4-diamino-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

[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107709
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
2-[4-(bromomethyl)-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075453
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
2-[6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130097218
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435
2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118838596

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid (CID 134684321) is 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid is Nc1cc(C(F)F)nc(CC(=O)O)c1N.
What is the InChIKey of 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is PUKINMBWNCRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-8(10)5-1-3(11)7(12)4(13-5)2-6(14)15/h1,8H,2,12H2,(H2,11,13)(H,14,15).
What are the key properties of 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid?
2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 217.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134684321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).