methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate

C16H12N2O3 — CID 175014240

IUPACmethyl 1-(pyridine-2-carbonyl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2C(=O)c2ccccn2)c1
InChIInChI=1S/C16H12N2O3/c1-21-16(20)12-5-6-14-11(10-12)7-9-18(14)15(19)13-4-2-3-8-17-13/h2-10H,1H3
InChIKeyUFLAHMFWCGEPBF-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.51
Rot. Bonds2

About methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate

methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate (PubChem CID 175014240) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(pyridine-2-carbonyl)indole-5-carboxylate
PubChem CID175014240
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namemethyl 1-(pyridine-2-carbonyl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2C(=O)c2ccccn2)c1
InChIInChI=1S/C16H12N2O3/c1-21-16(20)12-5-6-14-11(10-12)7-9-18(14)15(19)13-4-2-3-8-17-13/h2-10H,1H3
InChIKeyUFLAHMFWCGEPBF-UHFFFAOYSA-N
XLogP2.51
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-(pyridine-2-carbonyl)indol-5-yl]benzamide
CID 53317539
methyl 1-(3-phenylpropanoyl)indole-5-carboxylate
CID 101462418
(6-chloroindol-1-yl)-pyridin-2-ylmethanone
CID 175014523
methyl 1-hexa-2,4-dien-3-ylindole-5-carboxylate
CID 123503388
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
CID 110481979
methyl 4-bromo-7-(pyridine-2-carbonyl)-7-azabicyclo[4.2.0]octa-1,3,5-triene-2-carboxylate
CID 121225903
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 1-benzoyl-6-(2-methoxy-2-oxoethyl)indole-5-carboxylate
CID 101451038
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 1-tritylindazole-5-carboxylate
CID 141058528
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
methyl 3-methyl-4-pyridin-2-ylbenzoate
CID 24829012

Frequently Asked Questions

What is the IUPAC name of methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate?
The IUPAC name of methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate (CID 175014240) is methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate.
What is the SMILES notation for methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate?
The canonical SMILES for methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate is COC(=O)c1ccc2c(ccn2C(=O)c2ccccn2)c1.
What is the InChIKey of methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate?
The InChIKey is UFLAHMFWCGEPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-16(20)12-5-6-14-11(10-12)7-9-18(14)15(19)13-4-2-3-8-17-13/h2-10H,1H3.
What are the key properties of methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate?
methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate is sourced from PubChem (CID 175014240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).