3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid

C7H7F2N3O2 — CID 130098779

IUPAC3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1c(C(F)F)cnc(C(=O)O)c1N
InChIInChI=1S/C7H7F2N3O2/c8-6(9)2-1-12-5(7(13)14)4(11)3(2)10/h1,6H,11H2,(H2,10,12)(H,13,14)
InChIKeyDUAQQZXLRCTLBS-UHFFFAOYSA-N
MW203.15 g/mol
LogP0.88
Rot. Bonds2

About 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid

3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130098779) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130098779
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNc1c(C(F)F)cnc(C(=O)O)c1N
InChIInChI=1S/C7H7F2N3O2/c8-6(9)2-1-12-5(7(13)14)4(11)3(2)10/h1,6H,11H2,(H2,10,12)(H,13,14)
InChIKeyDUAQQZXLRCTLBS-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-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
4-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxamide
CID 118816543
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
methyl 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102191
methyl 4-amino-3-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 130102966
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid (CID 130098779) is 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid is Nc1c(C(F)F)cnc(C(=O)O)c1N.
What is the InChIKey of 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DUAQQZXLRCTLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c8-6(9)2-1-12-5(7(13)14)4(11)3(2)10/h1,6H,11H2,(H2,10,12)(H,13,14).
What are the key properties of 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid?
3,4-diamino-5-(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 3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130098779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).