methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate

C15H12N2O3 — CID 24896604

IUPACmethyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc3cc(O)ccc3[nH]2)nc1
InChIInChI=1S/C15H12N2O3/c1-20-15(19)9-2-4-13(16-8-9)14-7-10-6-11(18)3-5-12(10)17-14/h2-8,17-18H,1H3
InChIKeyCLXVQMSNBCCFDS-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.72
Rot. Bonds2

About methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate

methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate (PubChem CID 24896604) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate
PubChem CID24896604
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cc3cc(O)ccc3[nH]2)nc1
InChIInChI=1S/C15H12N2O3/c1-20-15(19)9-2-4-13(16-8-9)14-7-10-6-11(18)3-5-12(10)17-14/h2-8,17-18H,1H3
InChIKeyCLXVQMSNBCCFDS-UHFFFAOYSA-N
XLogP2.72
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl 2-(4-aminophenyl)-1H-indole-5-carboxylate
CID 69224754
methyl 6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-3-carboxylate
CID 122554513
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl 4-(6-hydroxyquinolin-2-yl)benzoate
CID 66980069
methyl 6-(4-phenylmethoxythiophen-2-yl)pyridine-3-carboxylate
CID 175233380
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
CID 146048625
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
6-(4-hydroxy-1H-indol-2-yl)pyridine-3-carboxylic acid
CID 136986560
methyl 2-cyano-1H-indole-5-carboxylate
CID 129095297
methyl 2-(4-cyano-3-fluorophenyl)-1H-indole-5-carboxylate
CID 66770222

Frequently Asked Questions

What is the IUPAC name of methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate (CID 24896604) is methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2cc3cc(O)ccc3[nH]2)nc1.
What is the InChIKey of methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate?
The InChIKey is CLXVQMSNBCCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-15(19)9-2-4-13(16-8-9)14-7-10-6-11(18)3-5-12(10)17-14/h2-8,17-18H,1H3.
What are the key properties of methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate?
methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(5-hydroxy-1H-indol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 24896604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).