2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid

C14H21FN2O2 — CID 105381871

IUPAC2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
SMILESCCCCN(CCCC)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H21FN2O2/c1-3-5-9-17(10-6-4-2)13-12(15)11(14(18)19)7-8-16-13/h7-8H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyZVPNHBDDNWYTLQ-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.33
Rot. Bonds8

About 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid

2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105381871) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105381871
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid
SMILESCCCCN(CCCC)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H21FN2O2/c1-3-5-9-17(10-6-4-2)13-12(15)11(14(18)19)7-8-16-13/h7-8H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyZVPNHBDDNWYTLQ-UHFFFAOYSA-N
XLogP3.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dibutylamino)-3-fluoropyridine-4-carboxylic 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-fluoro-2-[2-hydroxyethyl(methyl)amino]pyridine-4-carboxylic acid
CID 105381967
3-fluoro-2-[methyl-[3-(methylamino)propyl]amino]pyridine-4-carboxylic acid
CID 105382506
4-[butyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 107935574
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
3-fluoro-2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382575
4-(dibutylamino)-2-fluorobenzoic acid
CID 113319789
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
3-chloro-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxylic acid
CID 107062432
3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
CID 105382776
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid (CID 105381871) is 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid is CCCCN(CCCC)c1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is ZVPNHBDDNWYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-5-9-17(10-6-4-2)13-12(15)11(14(18)19)7-8-16-13/h7-8H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid?
2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 268.33 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105381871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).