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

C9H9F3N2O2 — CID 83841313

IUPAC2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid
SMILESCN(CC(=O)O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c1-14(5-8(15)16)6-2-3-13-7(4-6)9(10,11)12/h2-4H,5H2,1H3,(H,15,16)
InChIKeySBDYLJXJWFNFKG-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.62
Rot. Bonds3

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

2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid (PubChem CID 83841313) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid
PubChem CID83841313
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid
SMILESCN(CC(=O)O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O2/c1-14(5-8(15)16)6-2-3-13-7(4-6)9(10,11)12/h2-4H,5H2,1H3,(H,15,16)
InChIKeySBDYLJXJWFNFKG-UHFFFAOYSA-N
XLogP1.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid
CID 83834123
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
2-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]acetic acid
CID 146291207
2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 91926266
2-[propan-2-yl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 64586044
4-[2-(trifluoromethyl)-4-pyridinyl]but-3-enoic acid
CID 170483926
2-[4-(diethylamino)-2-pyridinyl]acetic acid
CID 83883816
2-[2,4-dimethyl-1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetic acid
CID 171808705
N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine
CID 114270121
2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
CID 62255633
(Z)-3-hydroxy-2-methyl-1,3-bis[2-(trifluoromethyl)-4-pyridinyl]prop-2-en-1-one
CID 167430172

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid (CID 83841313) is 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid is CN(CC(=O)O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid?
The InChIKey is SBDYLJXJWFNFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-14(5-8(15)16)6-2-3-13-7(4-6)9(10,11)12/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid?
2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid has a molecular weight of 234.18 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid is sourced from PubChem (CID 83841313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).