5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid

C11H10ClF3N2O2 — CID 55009351

IUPAC5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N(CC(F)(F)F)C2CC2)c(Cl)c1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-16-9(8)17(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19)
InChIKeyWPLIATOISKFHPV-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.96
Rot. Bonds4

About 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid

5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid (PubChem CID 55009351) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
PubChem CID55009351
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N(CC(F)(F)F)C2CC2)c(Cl)c1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-16-9(8)17(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19)
InChIKeyWPLIATOISKFHPV-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]acetic acid
CID 54945709
5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54984054
3,5-dichloro-6-N-cyclopropyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102757430
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62238262
5-amino-6-[cyclopropyl(cyclopropylmethyl)amino]pyridine-3-carboxylic acid
CID 81440083
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701161
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 102669858
5-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63273907
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204
5-amino-6-[cyclopentyl(ethyl)amino]pyridine-3-carboxylic acid
CID 81439101
N-cyclopropyl-3-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid (CID 55009351) is 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cnc(N(CC(F)(F)F)C2CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is WPLIATOISKFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-16-9(8)17(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19).
What are the key properties of 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid?
5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 294.66 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55009351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).