5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid

C10H12N2O2 — CID 154512709

IUPAC5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
SMILESO=C(O)N1CCCCc2cccnc21
InChIInChI=1S/C10H12N2O2/c13-10(14)12-7-2-1-4-8-5-3-6-11-9(8)12/h3,5-6H,1-2,4,7H2,(H,13,14)
InChIKeyQTVZZGQRKVKJPU-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.90
Rot. Bonds

About 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid

5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid (PubChem CID 154512709) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
PubChem CID154512709
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
SMILESO=C(O)N1CCCCc2cccnc21
InChIInChI=1S/C10H12N2O2/c13-10(14)12-7-2-1-4-8-5-3-6-11-9(8)12/h3,5-6H,1-2,4,7H2,(H,13,14)
InChIKeyQTVZZGQRKVKJPU-UHFFFAOYSA-N
XLogP1.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
2-chloro-5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154379577
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
3-(3,5-dimethylpyrazol-1-yl)-1-(5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl)propan-1-one
CID 138030471
1-[1-oxo-1-(5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl)propan-2-yl]-1,2,4-triazole-3-carbonitrile
CID 139021935
3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone
CID 166241202
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-[(3R)-2,6-dioxopiperidin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 154591723
(2-bromophenyl) 2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
CID 59825533
1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one
CID 139014321
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
N-(6-methylidene-2-oxopiperidin-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162262770

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid (CID 154512709) is 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid is O=C(O)N1CCCCc2cccnc21.
What is the InChIKey of 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid?
The InChIKey is QTVZZGQRKVKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)12-7-2-1-4-8-5-3-6-11-9(8)12/h3,5-6H,1-2,4,7H2,(H,13,14).
What are the key properties of 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid?
5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid is sourced from PubChem (CID 154512709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).