3-ethenyl-5-methylpyridine-4-carboxylic acid

C9H9NO2 — CID 74888995

IUPAC3-ethenyl-5-methylpyridine-4-carboxylic acid
SMILESC=Cc1cncc(C)c1C(=O)O
InChIInChI=1S/C9H9NO2/c1-3-7-5-10-4-6(2)8(7)9(11)12/h3-5H,1H2,2H3,(H,11,12)
InChIKeyLAKWBUDWMQZSTD-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.73
Rot. Bonds2

About 3-ethenyl-5-methylpyridine-4-carboxylic acid

3-ethenyl-5-methylpyridine-4-carboxylic acid (PubChem CID 74888995) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-ethenyl-5-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-5-methylpyridine-4-carboxylic acid
PubChem CID74888995
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-ethenyl-5-methylpyridine-4-carboxylic acid
SMILESC=Cc1cncc(C)c1C(=O)O
InChIInChI=1S/C9H9NO2/c1-3-7-5-10-4-6(2)8(7)9(11)12/h3-5H,1H2,2H3,(H,11,12)
InChIKeyLAKWBUDWMQZSTD-UHFFFAOYSA-N
XLogP1.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol
CID 167523166
3-ethenyl-4-methoxy-5-methylpyridine
CID 74890937
4-ethenyl-2-methylbenzene-1,3-dicarboxylic acid
CID 139979105
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
propan-2-yl 3,5-dimethylpyridine-4-carboxylate
CID 177327214
4-ethenyl-3-ethyl-5-methylpyridine
CID 142108628
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
ethyl 3-hydroxy-5-methylpyridine-4-carboxylate
CID 131216125
5-chloro-2-ethenyl-4-methylbenzoic acid
CID 130591320
1-[3-(ethylideneamino)-5-methyl-4-pyridinyl]ethanone
CID 153345113
4-ethenyl-5-methyl-1H-pyrrole-2-carboxylic acid
CID 143604934
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine
CID 166455325

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methylpyridine-4-carboxylic acid?
The IUPAC name of 3-ethenyl-5-methylpyridine-4-carboxylic acid (CID 74888995) is 3-ethenyl-5-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-ethenyl-5-methylpyridine-4-carboxylic acid?
The canonical SMILES for 3-ethenyl-5-methylpyridine-4-carboxylic acid is C=Cc1cncc(C)c1C(=O)O.
What is the InChIKey of 3-ethenyl-5-methylpyridine-4-carboxylic acid?
The InChIKey is LAKWBUDWMQZSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-3-7-5-10-4-6(2)8(7)9(11)12/h3-5H,1H2,2H3,(H,11,12).
What are the key properties of 3-ethenyl-5-methylpyridine-4-carboxylic acid?
3-ethenyl-5-methylpyridine-4-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 74888995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).