2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate

C18H12F3N2O4- — CID 18542197

IUPAC2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate
SMILESCc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)[O-])c1
InChIInChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)/p-1
InChIKeyXAVZMVCQMPSHMP-UHFFFAOYSA-M
MW377.30 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate

2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate (PubChem CID 18542197) has the molecular formula C18H12F3N2O4- and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Name2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate
PubChem CID18542197
Molecular FormulaC18H12F3N2O4-
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate
SMILESCc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)[O-])c1
InChIInChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)/p-1
InChIKeyXAVZMVCQMPSHMP-UHFFFAOYSA-M
XLogP2.29
TPSA95.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methylpyridine-2-carbonyl)-5-propan-2-yl-1H-indol-3-yl]acetate
CID 18542188
2-[6-chloro-2-(4-ethylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 18542262
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
2-[6-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 18542242
2-[5-chloro-2-(3-ethoxycarbonyl-1,2-oxazole-5-carbonyl)-1H-indol-3-yl]acetate
CID 18542199
methyl 2-[5-chloro-2-[4-(hydroxymethyl)pyridine-2-carbonyl]-1H-indol-3-yl]acetate
CID 23003296
2-[2-[[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]methyl]phenoxy]propanoic acid
CID 142110849
2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542250
methyl 2-[5-chloro-2-(4-propylpyridine-2-carbonyl)-1H-indol-3-yl]acetate
CID 23003395
methyl 2-[6-chloro-2-[4-(trifluoromethoxy)benzoyl]-1H-indol-3-yl]acetate
CID 23003215
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
ethyl 3-(dimethylaminomethylideneamino)-5-(trifluoromethoxy)-1H-indole-2-carboxylate
CID 90760958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate?
The IUPAC name of 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate (CID 18542197) is 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate.
What is the SMILES notation for 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate?
The canonical SMILES for 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate is Cc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)[O-])c1.
What is the InChIKey of 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate?
The InChIKey is XAVZMVCQMPSHMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13F3N2O4/c1-9-4-5-22-14(6-9)17(26)16-12(8-15(24)25)11-7-10(27-18(19,20)21)2-3-13(11)23-16/h2-7,23H,8H2,1H3,(H,24,25)/p-1.
What are the key properties of 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate?
2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate has a molecular weight of 377.30 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetate is sourced from PubChem (CID 18542197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).