1-methyl-6-methylidenepyridine-3-carboxylic acid

C8H9NO2 — CID 146916186

IUPAC1-methyl-6-methylidenepyridine-3-carboxylic acid
SMILESC=C1C=CC(C(=O)O)=CN1C
InChIInChI=1S/C8H9NO2/c1-6-3-4-7(8(10)11)5-9(6)2/h3-5H,1H2,2H3,(H,10,11)
InChIKeyIWZXDRMIOPWZBP-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.97
Rot. Bonds1

About 1-methyl-6-methylidenepyridine-3-carboxylic acid

1-methyl-6-methylidenepyridine-3-carboxylic acid (PubChem CID 146916186) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-methyl-6-methylidenepyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-methylidenepyridine-3-carboxylic acid
PubChem CID146916186
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-methyl-6-methylidenepyridine-3-carboxylic acid
SMILESC=C1C=CC(C(=O)O)=CN1C
InChIInChI=1S/C8H9NO2/c1-6-3-4-7(8(10)11)5-9(6)2/h3-5H,1H2,2H3,(H,10,11)
InChIKeyIWZXDRMIOPWZBP-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidenepyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-methylidenepyridine-3-carboxylic acid (CID 146916186) is 1-methyl-6-methylidenepyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-methylidenepyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-methylidenepyridine-3-carboxylic acid is C=C1C=CC(C(=O)O)=CN1C.
What is the InChIKey of 1-methyl-6-methylidenepyridine-3-carboxylic acid?
The InChIKey is IWZXDRMIOPWZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6-3-4-7(8(10)11)5-9(6)2/h3-5H,1H2,2H3,(H,10,11).
What are the key properties of 1-methyl-6-methylidenepyridine-3-carboxylic acid?
1-methyl-6-methylidenepyridine-3-carboxylic acid has a molecular weight of 151.16 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidenepyridine-3-carboxylic acid is sourced from PubChem (CID 146916186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).