9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid

C12H11NO3 — CID 68992654

IUPAC9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid
SMILESO=C(O)C1=CN=C2C(CO)=CC=CC=C2C1
InChIInChI=1S/C12H11NO3/c14-7-9-4-2-1-3-8-5-10(12(15)16)6-13-11(8)9/h1-4,6,14H,5,7H2,(H,15,16)
InChIKeyAXKNZUPLAHIHAL-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.21
Rot. Bonds2

About 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid

9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid (PubChem CID 68992654) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid
PubChem CID68992654
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid
SMILESO=C(O)C1=CN=C2C(CO)=CC=CC=C2C1
InChIInChI=1S/C12H11NO3/c14-7-9-4-2-1-3-8-5-10(12(15)16)6-13-11(8)9/h1-4,6,14H,5,7H2,(H,15,16)
InChIKeyAXKNZUPLAHIHAL-UHFFFAOYSA-N
XLogP1.21
TPSA69.89 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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid?
The IUPAC name of 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid (CID 68992654) is 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid is O=C(O)C1=CN=C2C(CO)=CC=CC=C2C1.
What is the InChIKey of 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid?
The InChIKey is AXKNZUPLAHIHAL-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/h1-4,6,14H,5,7H2,(H,15,16).
What are the key properties of 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid?
9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethyl)-4H-cyclohepta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 68992654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).