2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid

C11H10ClF3N2O2 — CID 55008607

IUPAC2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-9(16-8)17(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19)
InChIKeyGVVAKKWPGDZKBV-UHFFFAOYSA-N
MW294.66 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid (PubChem CID 55008607) has the molecular formula C11H10ClF3N2O2 and a molecular weight of 294.66 g/mol. Its IUPAC name is 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
PubChem CID55008607
Molecular FormulaC11H10ClF3N2O2
Molecular Weight294.66 g/mol
Exact Mass294.04
IUPAC Name2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N(CC(F)(F)F)C2CC2)c1
InChIInChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-9(16-8)17(7-1-2-7)5-11(13,14)15/h3-4,7H,1-2,5H2,(H,18,19)
InChIKeyGVVAKKWPGDZKBV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 114919009
CID 114919009
CID 236986
CID 236986
CID 21430354
CID 21430354
CID 236989
CID 236989
CID 46318079
CID 46318079
CID 59651114
CID 59651114
CID 61502443
CID 61502443
CID 68815849
CID 68815849
CID 68815851
CID 68815851
CID 87235045
CID 87235045
CID 105503578
CID 105503578
CID 139300084
CID 139300084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid (CID 55008607) is 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N(CC(F)(F)F)C2CC2)c1.
What is the InChIKey of 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is GVVAKKWPGDZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2/c12-8-3-6(10(18)19)4-9(16-8)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 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-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 2-chloro-6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 55008607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).