methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate

C16H12N2O3 — CID 139570456

IUPACmethyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H12N2O3/c1-21-16(20)14-7-6-10(8-17-14)15(19)12-9-18-13-5-3-2-4-11(12)13/h2-9,18H,1H3
InChIKeyREVIPCGJMZHKIQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.58
Rot. Bonds3

About methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate

methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate (PubChem CID 139570456) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
PubChem CID139570456
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Namemethyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C16H12N2O3/c1-21-16(20)14-7-6-10(8-17-14)15(19)12-9-18-13-5-3-2-4-11(12)13/h2-9,18H,1H3
InChIKeyREVIPCGJMZHKIQ-UHFFFAOYSA-N
XLogP2.58
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
CID 146879070
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 40753077

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate (CID 139570456) is methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate is COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
The InChIKey is REVIPCGJMZHKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-16(20)14-7-6-10(8-17-14)15(19)12-9-18-13-5-3-2-4-11(12)13/h2-9,18H,1H3.
What are the key properties of methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate?
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate is sourced from PubChem (CID 139570456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).