3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid

C16H15NO2 — CID 81475709

IUPAC3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C1CCc2cccnc21
InChIInChI=1S/C16H15NO2/c1-10-4-5-12(16(18)19)9-14(10)13-7-6-11-3-2-8-17-15(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyDHPFXCIAFBOSJC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.17
Rot. Bonds2

About 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid (PubChem CID 81475709) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid
PubChem CID81475709
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1C1CCc2cccnc21
InChIInChI=1S/C16H15NO2/c1-10-4-5-12(16(18)19)9-14(10)13-7-6-11-3-2-8-17-15(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyDHPFXCIAFBOSJC-UHFFFAOYSA-N
XLogP3.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(6-methyl-3-pyridinyl)methanone
CID 105115340
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,3-dihydroinden-1-one
CID 114080982
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 70978507
(3,4-difluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79745802
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-fluorobenzaldehyde
CID 79740689
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylphenyl)methanone
CID 79746018
4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
CID 79079889
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
7-(6-chloro-4,5-dimethylpyridazin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739169
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid (CID 81475709) is 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1C1CCc2cccnc21.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid?
The InChIKey is DHPFXCIAFBOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-4-5-12(16(18)19)9-14(10)13-7-6-11-3-2-8-17-15(11)13/h2-5,8-9,13H,6-7H2,1H3,(H,18,19).
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid?
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid has a molecular weight of 253.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-methylbenzoic acid is sourced from PubChem (CID 81475709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).