2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid

C16H15NO2 — CID 70407654

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1cccc2c1CCCC2
InChIInChI=1S/C16H15NO2/c18-16(19)14-9-4-10-17-15(14)13-8-3-6-11-5-1-2-7-12(11)13/h3-4,6,8-10H,1-2,5,7H2,(H,18,19)
InChIKeyBLUALVRLUQOZPJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.33
Rot. Bonds2

About 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid

2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid (PubChem CID 70407654) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
PubChem CID70407654
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1cccc2c1CCCC2
InChIInChI=1S/C16H15NO2/c18-16(19)14-9-4-10-17-15(14)13-8-3-6-11-5-1-2-7-12(11)13/h3-4,6,8-10H,1-2,5,7H2,(H,18,19)
InChIKeyBLUALVRLUQOZPJ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
CID 43153962
phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 23110735
3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 146453462
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
2-[2-(hydroxymethyl)-3-methoxyphenyl]pyridine-3-carboxylic acid
CID 19700750
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
2-tert-butyl-3-(3-methyl-2-pyridinyl)benzoic acid
CID 66780485
2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
CID 67610291
4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid
CID 166072546

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid (CID 70407654) is 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1cccc2c1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid?
The InChIKey is BLUALVRLUQOZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19)14-9-4-10-17-15(14)13-8-3-6-11-5-1-2-7-12(11)13/h3-4,6,8-10H,1-2,5,7H2,(H,18,19).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid?
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 70407654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).