3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid

C10H10ClF3N2O2 — CID 114131874

IUPAC3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CC(F)(F)F)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-5(4-10(12,13)14)16-8-7(11)6(9(17)18)2-3-15-8/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyKKVYRYHNJRCYSZ-UHFFFAOYSA-N
MW282.65 g/mol
LogP3.19
Rot. Bonds4

About 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid

3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 114131874) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID114131874
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CC(F)(F)F)Nc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C10H10ClF3N2O2/c1-5(4-10(12,13)14)16-8-7(11)6(9(17)18)2-3-15-8/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyKKVYRYHNJRCYSZ-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 107062922
3-chloro-2-(pent-4-yn-2-ylamino)pyridine-4-carboxylic acid
CID 107063005
3-chloro-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 107062716
3-chloro-2-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carboxylic acid
CID 107062606
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
3-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-4-carboxylic acid
CID 106162737
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793
3-chloro-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 107061996
3-chloro-2-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 107061881
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid (CID 114131874) is 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid is CC(CC(F)(F)F)Nc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is KKVYRYHNJRCYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c1-5(4-10(12,13)14)16-8-7(11)6(9(17)18)2-3-15-8/h2-3,5H,4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid?
3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 282.65 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).