pyridin-2-ylmethyl 1H-indole-2-carboxylate

C15H12N2O2 — CID 46558412

IUPACpyridin-2-ylmethyl 1H-indole-2-carboxylate
SMILESO=C(OCc1ccccn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O2/c18-15(19-10-12-6-3-4-8-16-12)14-9-11-5-1-2-7-13(11)17-14/h1-9,17H,10H2
InChIKeyUBHKUACZUIWPKF-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.92
Rot. Bonds3

About pyridin-2-ylmethyl 1H-indole-2-carboxylate

pyridin-2-ylmethyl 1H-indole-2-carboxylate (PubChem CID 46558412) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is pyridin-2-ylmethyl 1H-indole-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 1H-indole-2-carboxylate
PubChem CID46558412
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namepyridin-2-ylmethyl 1H-indole-2-carboxylate
SMILESO=C(OCc1ccccn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O2/c18-15(19-10-12-6-3-4-8-16-12)14-9-11-5-1-2-7-13(11)17-14/h1-9,17H,10H2
InChIKeyUBHKUACZUIWPKF-UHFFFAOYSA-N
XLogP2.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
2-(1H-indol-2-yl)-3-pyridin-2-ylprop-1-en-1-one
CID 118108344
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1H-indole-2-carboxylate
CID 7681418
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1H-indole-2-carboxylate
CID 46610857
butyl 1H-indole-2-carboxylate
CID 54052397
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 1H-indole-2-carboxylate
CID 7631664
chloro 1H-indole-2-carboxylate
CID 68813525
2-(4-fluorophenoxy)ethyl 1H-indole-2-carboxylate
CID 7713495
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
2-nitroethyl 1H-indole-2-carboxylate
CID 142793675
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
(6-bromo-1,3-benzodioxol-5-yl)methyl 1H-indole-2-carboxylate
CID 7533522

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 1H-indole-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 1H-indole-2-carboxylate (CID 46558412) is pyridin-2-ylmethyl 1H-indole-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 1H-indole-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 1H-indole-2-carboxylate is O=C(OCc1ccccn1)c1cc2ccccc2[nH]1.
What is the InChIKey of pyridin-2-ylmethyl 1H-indole-2-carboxylate?
The InChIKey is UBHKUACZUIWPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19-10-12-6-3-4-8-16-12)14-9-11-5-1-2-7-13(11)17-14/h1-9,17H,10H2.
What are the key properties of pyridin-2-ylmethyl 1H-indole-2-carboxylate?
pyridin-2-ylmethyl 1H-indole-2-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 1H-indole-2-carboxylate is sourced from PubChem (CID 46558412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).