4-propylpyridine-3-carboxylic acid

C9H11NO2 — CID 21413297

IUPAC4-propylpyridine-3-carboxylic acid
SMILESCCCc1ccncc1C(=O)O
InChIInChI=1S/C9H11NO2/c1-2-3-7-4-5-10-6-8(7)9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyJZCFSNRFOWRNIC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.73
Rot. Bonds3

About 4-propylpyridine-3-carboxylic acid

4-propylpyridine-3-carboxylic acid (PubChem CID 21413297) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-propylpyridine-3-carboxylic acid
PubChem CID21413297
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-propylpyridine-3-carboxylic acid
SMILESCCCc1ccncc1C(=O)O
InChIInChI=1S/C9H11NO2/c1-2-3-7-4-5-10-6-8(7)9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyJZCFSNRFOWRNIC-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hexylpyridine-3-carboxylic acid
CID 54526352
4-(2-iodoethyl)pyridine-3-carboxylic acid
CID 174800330
4-(2-octyldodecyl)pyridine-3-carboxylic acid
CID 23053579
methyl 4-tridecylpyridine-3-carboxylate
CID 135057818
4-(aminomethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68860386
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-acetylpyridine-4-carboxylic acid
CID 19902844
3-ethoxy-4-propylpyridine
CID 176934400
2,5-dipropylbenzoic acid
CID 139904729
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
(4-propyl-3-pyridinyl)methanesulfonic acid
CID 174773543
4-[(2-methoxyphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212644

Frequently Asked Questions

What is the IUPAC name of 4-propylpyridine-3-carboxylic acid?
The IUPAC name of 4-propylpyridine-3-carboxylic acid (CID 21413297) is 4-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-propylpyridine-3-carboxylic acid?
The canonical SMILES for 4-propylpyridine-3-carboxylic acid is CCCc1ccncc1C(=O)O.
What is the InChIKey of 4-propylpyridine-3-carboxylic acid?
The InChIKey is JZCFSNRFOWRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-3-7-4-5-10-6-8(7)9(11)12/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-propylpyridine-3-carboxylic acid?
4-propylpyridine-3-carboxylic acid has a molecular weight of 165.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 21413297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).