3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid

C18H19NO2 — CID 147827260

IUPAC3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
SMILESCc1ccc(C2CC2)c(CCc2cnccc2C(=O)O)c1
InChIInChI=1S/C18H19NO2/c1-12-2-7-16(13-3-4-13)14(10-12)5-6-15-11-19-9-8-17(15)18(20)21/h2,7-11,13H,3-6H2,1H3,(H,20,21)
InChIKeyHQJVNPKOWAAUQN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds5

About 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid

3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid (PubChem CID 147827260) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
PubChem CID147827260
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
SMILESCc1ccc(C2CC2)c(CCc2cnccc2C(=O)O)c1
InChIInChI=1S/C18H19NO2/c1-12-2-7-16(13-3-4-13)14(10-12)5-6-15-11-19-9-8-17(15)18(20)21/h2,7-11,13H,3-6H2,1H3,(H,20,21)
InChIKeyHQJVNPKOWAAUQN-UHFFFAOYSA-N
XLogP3.75
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[7-(4-methylphenoxy)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 158359004
3-[2-[(4S)-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 153106852
3-[2-[(1S)-6-(3-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147537608
3-[2-(5,7-dimethyl-3,4-dihydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 157128486
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
3-[2-[(1S)-6-(4-fluoro-2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 149190357
3-[2-[6-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 147505539
(2-cyclopropyl-5-methylphenyl)methanamine
CID 90236498
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 153125872
3-[2-[(4R)-7-(2-methylthiophen-3-yl)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 147481768
3-[2-[7-(N-methylanilino)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 159355880
2-ethyl-4-methylbenzoic acid
CID 19886963

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid (CID 147827260) is 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid is Cc1ccc(C2CC2)c(CCc2cnccc2C(=O)O)c1.
What is the InChIKey of 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid?
The InChIKey is HQJVNPKOWAAUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-2-7-16(13-3-4-13)14(10-12)5-6-15-11-19-9-8-17(15)18(20)21/h2,7-11,13H,3-6H2,1H3,(H,20,21).
What are the key properties of 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid?
3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 147827260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).