2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate

C14H10F3N2O2- — CID 163199799

IUPAC2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate
SMILESO=C([O-])Cc1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-1-5-11(8-10)19-13-9(7-12(20)21)3-2-6-18-13/h1-6,8H,7H2,(H,18,19)(H,20,21)/p-1
InChIKeyROAROSUNSQTJBB-UHFFFAOYSA-M
MW295.24 g/mol
LogP2.14
Rot. Bonds4

About 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate

2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate (PubChem CID 163199799) has the molecular formula C14H10F3N2O2- and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate
PubChem CID163199799
Molecular FormulaC14H10F3N2O2-
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate
SMILESO=C([O-])Cc1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-1-5-11(8-10)19-13-9(7-12(20)21)3-2-6-18-13/h1-6,8H,7H2,(H,18,19)(H,20,21)/p-1
InChIKeyROAROSUNSQTJBB-UHFFFAOYSA-M
XLogP2.14
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Niflumic Acid
CID 4488
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
1-(5-Methylpyridin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4454820
7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-7-(3-pyridyl)-(E)-6-heptenoic acid
CID 10526115
AD-1491
CID 3059294
(6-Aminopyridin-3-yl)acetic acid
CID 12562075
Methyl 2-[3-(trifluoromethyl)anilino]nicotinate
CID 527328
N-[3-(Trifluoromethyl)phenyl]pyridin-2-amine
CID 21993545
3-Amino-N-2-pyridinylbenzamide
CID 577580
Methyl {4-[(pyridin-2-ylcarbamothioyl)amino]phenyl}acetate
CID 942896
2-[3-(Trifluoromethyl)anilino]nicotinamide
CID 1548417
2-[4-(Pyridin-2-ylamino)phenyl]acetic acid
CID 13054250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate?
The IUPAC name of 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate (CID 163199799) is 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate is O=C([O-])Cc1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate?
The InChIKey is ROAROSUNSQTJBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-4-1-5-11(8-10)19-13-9(7-12(20)21)3-2-6-18-13/h1-6,8H,7H2,(H,18,19)(H,20,21)/p-1.
What are the key properties of 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate?
2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate has a molecular weight of 295.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]acetate is sourced from PubChem (CID 163199799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).