3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid

C7H7F2N3O2 — CID 130098782

IUPAC3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cc(N)c(C(F)F)nc1C(=O)O
InChIInChI=1S/C7H7F2N3O2/c8-6(9)4-2(10)1-3(11)5(12-4)7(13)14/h1,6H,10-11H2,(H,13,14)
InChIKeyPJQRPURIDOEAQS-UHFFFAOYSA-N
MW203.15 g/mol
LogP0.88
Rot. Bonds2

About 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid

3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130098782) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130098782
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1cc(N)c(C(F)F)nc1C(=O)O
InChIInChI=1S/C7H7F2N3O2/c8-6(9)4-2(10)1-3(11)5(12-4)7(13)14/h1,6H,10-11H2,(H,13,14)
InChIKeyPJQRPURIDOEAQS-UHFFFAOYSA-N
XLogP0.88
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134658740
5-amino-6-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 130106784
2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
CID 130098608
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carboxamide
CID 130105130
3-chloro-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 130072000
5-amino-3-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130104260
6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
4-amino-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 118811846
6-(difluoromethyl)-5-hydroxy-3-methylpyridine-2-carboxylic acid
CID 118831600
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid (CID 130098782) is 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid is Nc1cc(N)c(C(F)F)nc1C(=O)O.
What is the InChIKey of 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is PJQRPURIDOEAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-6(9)4-2(10)1-3(11)5(12-4)7(13)14/h1,6H,10-11H2,(H,13,14).
What are the key properties of 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid?
3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 203.15 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130098782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).