methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate

C15H12N2O2 — CID 15287367

IUPACmethyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-6-4-8-16-14(11)12-9-17-13-7-3-2-5-10(12)13/h2-9,17H,1H3
InChIKeyNZHAIXBIFNPKBI-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds2

About methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate

methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate (PubChem CID 15287367) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
PubChem CID15287367
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namemethyl 2-(1H-indol-3-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H12N2O2/c1-19-15(18)11-6-4-8-16-14(11)12-9-17-13-7-3-2-5-10(12)13/h2-9,17H,1H3
InChIKeyNZHAIXBIFNPKBI-UHFFFAOYSA-N
XLogP3.02
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 2-[2-(ethylcarbamoyl)-3-(1H-indol-3-yl)phenyl]benzoate
CID 69340604
methyl 4-(1H-indol-3-yl)-9H-carbazole-1-carboxylate
CID 631008
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
methyl 2-(2-methoxy-4-pyridinyl)pyridine-3-carboxylate
CID 155342393
methyl 2-(11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-8-yl)benzoate
CID 134361330
methyl 2-(4-bromo-2-methoxyphenyl)pyridine-3-carboxylate
CID 177204669
methyl 3-amino-4-(1H-indol-3-yl)benzoate
CID 175425319
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
methyl 2-methylpyridine-3-carboxylate
CID 7015327

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate (CID 15287367) is methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate is COC(=O)c1cccnc1-c1c[nH]c2ccccc12.
What is the InChIKey of methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate?
The InChIKey is NZHAIXBIFNPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-15(18)11-6-4-8-16-14(11)12-9-17-13-7-3-2-5-10(12)13/h2-9,17H,1H3.
What are the key properties of methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate?
methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-indol-3-yl)pyridine-3-carboxylate is sourced from PubChem (CID 15287367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).