9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid

C12H11NO3 — CID 91339821

IUPAC9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)=CC=CCC=2CO
InChIInChI=1S/C12H11NO3/c14-7-9-4-2-1-3-8-5-10(12(15)16)6-13-11(8)9/h1-3,5-6,14H,4,7H2,(H,15,16)
InChIKeyYQTWNOQDRRQQOT-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.34
Rot. Bonds2

About 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid

9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid (PubChem CID 91339821) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid
PubChem CID91339821
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)=CC=CCC=2CO
InChIInChI=1S/C12H11NO3/c14-7-9-4-2-1-3-8-5-10(12(15)16)6-13-11(8)9/h1-3,5-6,14H,4,7H2,(H,15,16)
InChIKeyYQTWNOQDRRQQOT-UHFFFAOYSA-N
XLogP-0.34
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid?
The IUPAC name of 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid (CID 91339821) is 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid is O=C(O)c1cnc2c(c1)=CC=CCC=2CO.
What is the InChIKey of 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid?
The InChIKey is YQTWNOQDRRQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-7-9-4-2-1-3-8-5-10(12(15)16)6-13-11(8)9/h1-3,5-6,14H,4,7H2,(H,15,16).
What are the key properties of 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid?
9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-8H-cyclohepta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 91339821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).