4H-pyrido[4,3-c]azepine-3-carboxylic acid

C10H8N2O2 — CID 151610569

IUPAC4H-pyrido[4,3-c]azepine-3-carboxylic acid
SMILESO=C(O)C1=NC=C2C=CC=NC=C2C1
InChIInChI=1S/C10H8N2O2/c13-10(14)9-4-8-5-11-3-1-2-7(8)6-12-9/h1-3,5-6H,4H2,(H,13,14)
InChIKeyQMKFPIALIFZOBI-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.32
Rot. Bonds1

About 4H-pyrido[4,3-c]azepine-3-carboxylic acid

4H-pyrido[4,3-c]azepine-3-carboxylic acid (PubChem CID 151610569) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4H-pyrido[4,3-c]azepine-3-carboxylic acid.

Molecular Properties

Compound Name4H-pyrido[4,3-c]azepine-3-carboxylic acid
PubChem CID151610569
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4H-pyrido[4,3-c]azepine-3-carboxylic acid
SMILESO=C(O)C1=NC=C2C=CC=NC=C2C1
InChIInChI=1S/C10H8N2O2/c13-10(14)9-4-8-5-11-3-1-2-7(8)6-12-9/h1-3,5-6H,4H2,(H,13,14)
InChIKeyQMKFPIALIFZOBI-UHFFFAOYSA-N
XLogP1.32
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[4,3-c]azepine-3-carboxylic acid?
The IUPAC name of 4H-pyrido[4,3-c]azepine-3-carboxylic acid (CID 151610569) is 4H-pyrido[4,3-c]azepine-3-carboxylic acid.
What is the SMILES notation for 4H-pyrido[4,3-c]azepine-3-carboxylic acid?
The canonical SMILES for 4H-pyrido[4,3-c]azepine-3-carboxylic acid is O=C(O)C1=NC=C2C=CC=NC=C2C1.
What is the InChIKey of 4H-pyrido[4,3-c]azepine-3-carboxylic acid?
The InChIKey is QMKFPIALIFZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)9-4-8-5-11-3-1-2-7(8)6-12-9/h1-3,5-6H,4H2,(H,13,14).
What are the key properties of 4H-pyrido[4,3-c]azepine-3-carboxylic acid?
4H-pyrido[4,3-c]azepine-3-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[4,3-c]azepine-3-carboxylic acid is sourced from PubChem (CID 151610569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).