methyl 1H-indole-5-carboxylate;pyridine

C15H14N2O2 — CID 175088239

IUPACmethyl 1H-indole-5-carboxylate;pyridine
SMILESCOC(=O)c1ccc2[nH]ccc2c1.c1ccncc1
InChIInChI=1S/C10H9NO2.C5H5N/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-2-4-6-5-3-1/h2-6,11H,1H3;1-5H
InChIKeyXVWNRNIJPLZOJN-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.04
Rot. Bonds1

About methyl 1H-indole-5-carboxylate;pyridine

methyl 1H-indole-5-carboxylate;pyridine (PubChem CID 175088239) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 1H-indole-5-carboxylate;pyridine.

Molecular Properties

Compound Namemethyl 1H-indole-5-carboxylate;pyridine
PubChem CID175088239
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 1H-indole-5-carboxylate;pyridine
SMILESCOC(=O)c1ccc2[nH]ccc2c1.c1ccncc1
InChIInChI=1S/C10H9NO2.C5H5N/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-2-4-6-5-3-1/h2-6,11H,1H3;1-5H
InChIKeyXVWNRNIJPLZOJN-UHFFFAOYSA-N
XLogP3.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 174921301
methane;methyl 3-chloro-1H-indole-5-carboxylate;methyl 1H-indole-5-carboxylate
CID 157434836
ethanesulfonic acid;methyl 1H-indole-6-carboxylate
CID 175802798
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
chloro 1H-indole-6-carboxylate
CID 175606503
5-chloro-1H-indole;pyridine
CID 175095575
ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione
CID 144689405
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-benzyl-N-(pyridin-4-ylmethyl)-1H-indole-5-carboxamide
CID 42778117
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1H-indole-5-carboxamide
CID 154860077
hexyl 1H-indole-5-carboxylate
CID 90708672

Frequently Asked Questions

What is the IUPAC name of methyl 1H-indole-5-carboxylate;pyridine?
The IUPAC name of methyl 1H-indole-5-carboxylate;pyridine (CID 175088239) is methyl 1H-indole-5-carboxylate;pyridine.
What is the SMILES notation for methyl 1H-indole-5-carboxylate;pyridine?
The canonical SMILES for methyl 1H-indole-5-carboxylate;pyridine is COC(=O)c1ccc2[nH]ccc2c1.c1ccncc1.
What is the InChIKey of methyl 1H-indole-5-carboxylate;pyridine?
The InChIKey is XVWNRNIJPLZOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C5H5N/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;1-2-4-6-5-3-1/h2-6,11H,1H3;1-5H.
What are the key properties of methyl 1H-indole-5-carboxylate;pyridine?
methyl 1H-indole-5-carboxylate;pyridine has a molecular weight of 254.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-indole-5-carboxylate;pyridine is sourced from PubChem (CID 175088239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).