6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid

C13H17NO2 — CID 116533494

IUPAC6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C(C)C)nc1C1CC1
InChIInChI=1S/C13H17NO2/c1-7(2)11-10(13(15)16)6-8(3)12(14-11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyXXDHQGXBODJWSQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.09
Rot. Bonds3

About 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid

6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 116533494) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
PubChem CID116533494
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C(C)C)nc1C1CC1
InChIInChI=1S/C13H17NO2/c1-7(2)11-10(13(15)16)6-8(3)12(14-11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,15,16)
InChIKeyXXDHQGXBODJWSQ-UHFFFAOYSA-N
XLogP3.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
6-cyclopropyl-5-methylpyridine-2-carboxylic acid
CID 118990646
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
3-(4-propan-2-ylcyclohexyl)-1,2-oxazole-4-carboxylic acid
CID 125426240
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
6-propan-2-yl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 84722044
6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid
CID 169248978
6-(4,4-difluorocyclohexyl)-2,5-dimethylpyridine-3-carboxamide
CID 175397398
2-cyclopropyl-6-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 116533656
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid
CID 114280073

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid (CID 116533494) is 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid is Cc1cc(C(=O)O)c(C(C)C)nc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is XXDHQGXBODJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-7(2)11-10(13(15)16)6-8(3)12(14-11)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid?
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).