2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H8ClF3N2O3 — CID 79258051

IUPAC2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H8ClF3N2O3/c11-7-2-1-6(3-15-7)9(19)16(4-8(17)18)5-10(12,13)14/h1-3H,4-5H2,(H,17,18)
InChIKeyZXXUOUJBTVAPIV-UHFFFAOYSA-N
MW296.63 g/mol
LogP1.82
Rot. Bonds4

About 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258051) has the molecular formula C10H8ClF3N2O3 and a molecular weight of 296.63 g/mol. Its IUPAC name is 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258051
Molecular FormulaC10H8ClF3N2O3
Molecular Weight296.63 g/mol
Exact Mass296.02
IUPAC Name2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H8ClF3N2O3/c11-7-2-1-6(3-15-7)9(19)16(4-8(17)18)5-10(12,13)14/h1-3H,4-5H2,(H,17,18)
InChIKeyZXXUOUJBTVAPIV-UHFFFAOYSA-N
XLogP1.82
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.63
LogP ≤ 51.82
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

2-[(6-chloropyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 62032806
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
2-[[6-[5-[bis(carboxymethyl)carbamoyl]-2-pyridinyl]pyridine-3-carbonyl]-(carboxymethyl)amino]acetic acid
CID 101054460
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 61381204
2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990162
2-[(3-chloro-5-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81322907
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
2-[(4-amino-3-bromobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258006
2-[2,3-dihydro-1H-indene-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78989699
2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106500354
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
6-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 61042399

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258051) is 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ZXXUOUJBTVAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O3/c11-7-2-1-6(3-15-7)9(19)16(4-8(17)18)5-10(12,13)14/h1-3H,4-5H2,(H,17,18).
What are the key properties of 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 296.63 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).