1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol

C14H16N2O — CID 107586549

IUPAC1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cncc(-n2ccc3c2CCCC3O)c1
InChIInChI=1S/C14H16N2O/c1-10-7-11(9-15-8-10)16-6-5-12-13(16)3-2-4-14(12)17/h5-9,14,17H,2-4H2,1H3
InChIKeyJRXMSNKXOVCDKP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.55
Rot. Bonds1

About 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol

1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 107586549) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID107586549
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cncc(-n2ccc3c2CCCC3O)c1
InChIInChI=1S/C14H16N2O/c1-10-7-11(9-15-8-10)16-6-5-12-13(16)3-2-4-14(12)17/h5-9,14,17H,2-4H2,1H3
InChIKeyJRXMSNKXOVCDKP-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol (CID 107586549) is 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol is Cc1cncc(-n2ccc3c2CCCC3O)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is JRXMSNKXOVCDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-7-11(9-15-8-10)16-6-5-12-13(16)3-2-4-14(12)17/h5-9,14,17H,2-4H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol?
1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 228.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 107586549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).