9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid

C11H11NO3 — CID 23157091

IUPAC9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid
SMILESO=C1CC(C(=O)O)CCc2cccnc21
InChIInChI=1S/C11H11NO3/c13-9-6-8(11(14)15)4-3-7-2-1-5-12-10(7)9/h1-2,5,8H,3-4,6H2,(H,14,15)
InChIKeyZECRURFZPFOBKM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.30
Rot. Bonds1

About 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid

9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid (PubChem CID 23157091) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid
PubChem CID23157091
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid
SMILESO=C1CC(C(=O)O)CCc2cccnc21
InChIInChI=1S/C11H11NO3/c13-9-6-8(11(14)15)4-3-7-2-1-5-12-10(7)9/h1-2,5,8H,3-4,6H2,(H,14,15)
InChIKeyZECRURFZPFOBKM-UHFFFAOYSA-N
XLogP1.30
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-ethyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
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7-(hydroxymethyl)-5,6,7,8-tetrahydropyrido[2,3-c]azepin-9-one
CID 23157046
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83816750
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284
2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82294059
3-oxocyclopentane-1-carboxylic acid
CID 175785263
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273

Frequently Asked Questions

What is the IUPAC name of 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid?
The IUPAC name of 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid (CID 23157091) is 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid.
What is the SMILES notation for 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid?
The canonical SMILES for 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid is O=C1CC(C(=O)O)CCc2cccnc21.
What is the InChIKey of 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid?
The InChIKey is ZECRURFZPFOBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-9-6-8(11(14)15)4-3-7-2-1-5-12-10(7)9/h1-2,5,8H,3-4,6H2,(H,14,15).
What are the key properties of 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid?
9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-7-carboxylic acid is sourced from PubChem (CID 23157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).