2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

C8H6ClF3N2O2 — CID 71628764

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-4(8(10,11)12)2-6(14-5)13-3-7(15)16/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyUHVUGUCMBUHHHL-UHFFFAOYSA-N
MW254.59 g/mol
LogP2.25
Rot. Bonds3

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (PubChem CID 71628764) has the molecular formula C8H6ClF3N2O2 and a molecular weight of 254.59 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
PubChem CID71628764
Molecular FormulaC8H6ClF3N2O2
Molecular Weight254.59 g/mol
Exact Mass254.01
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C8H6ClF3N2O2/c9-5-1-4(8(10,11)12)2-6(14-5)13-3-7(15)16/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyUHVUGUCMBUHHHL-UHFFFAOYSA-N
XLogP2.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 52.25
H-Bond Donors ≤ 52
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-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 102716189
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
sodium;[6-chloro-4-(trifluoromethyl)-2-pyridinyl]sulfamic acid;hydride
CID 174221344
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
6-chloro-N-pent-4-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 106223110

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid (CID 71628764) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is O=C(O)CNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
The InChIKey is UHVUGUCMBUHHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O2/c9-5-1-4(8(10,11)12)2-6(14-5)13-3-7(15)16/h1-2H,3H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid has a molecular weight of 254.59 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 71628764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).