1H-indol-6-yl pyridine-2-carboxylate

C14H10N2O2 — CID 175845725

IUPAC1H-indol-6-yl pyridine-2-carboxylate
SMILESO=C(Oc1ccc2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C14H10N2O2/c17-14(12-3-1-2-7-15-12)18-11-5-4-10-6-8-16-13(10)9-11/h1-9,16H
InChIKeyUYTZRCPOUSLGON-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.78
Rot. Bonds2

About 1H-indol-6-yl pyridine-2-carboxylate

1H-indol-6-yl pyridine-2-carboxylate (PubChem CID 175845725) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1H-indol-6-yl pyridine-2-carboxylate.

Molecular Properties

Compound Name1H-indol-6-yl pyridine-2-carboxylate
PubChem CID175845725
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1H-indol-6-yl pyridine-2-carboxylate
SMILESO=C(Oc1ccc2cc[nH]c2c1)c1ccccn1
InChIInChI=1S/C14H10N2O2/c17-14(12-3-1-2-7-15-12)18-11-5-4-10-6-8-16-13(10)9-11/h1-9,16H
InChIKeyUYTZRCPOUSLGON-UHFFFAOYSA-N
XLogP2.78
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl pyridine-2-carboxylate?
The IUPAC name of 1H-indol-6-yl pyridine-2-carboxylate (CID 175845725) is 1H-indol-6-yl pyridine-2-carboxylate.
What is the SMILES notation for 1H-indol-6-yl pyridine-2-carboxylate?
The canonical SMILES for 1H-indol-6-yl pyridine-2-carboxylate is O=C(Oc1ccc2cc[nH]c2c1)c1ccccn1.
What is the InChIKey of 1H-indol-6-yl pyridine-2-carboxylate?
The InChIKey is UYTZRCPOUSLGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(12-3-1-2-7-15-12)18-11-5-4-10-6-8-16-13(10)9-11/h1-9,16H.
What are the key properties of 1H-indol-6-yl pyridine-2-carboxylate?
1H-indol-6-yl pyridine-2-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl pyridine-2-carboxylate is sourced from PubChem (CID 175845725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).