6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid

C12H13NO3 — CID 167074213

IUPAC6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid
SMILESC=C1CC(c2cc(C(=O)O)cnc2OC)C1
InChIInChI=1S/C12H13NO3/c1-7-3-8(4-7)10-5-9(12(14)15)6-13-11(10)16-2/h5-6,8H,1,3-4H2,2H3,(H,14,15)
InChIKeyGVSVIAOXBKZAHH-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.22
Rot. Bonds3

About 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid

6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid (PubChem CID 167074213) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid
PubChem CID167074213
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid
SMILESC=C1CC(c2cc(C(=O)O)cnc2OC)C1
InChIInChI=1S/C12H13NO3/c1-7-3-8(4-7)10-5-9(12(14)15)6-13-11(10)16-2/h5-6,8H,1,3-4H2,2H3,(H,14,15)
InChIKeyGVSVIAOXBKZAHH-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
CID 118394075
6-methoxy-5-phenylpyridine-3-carboxylic acid
CID 46315030
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-3-carboxylic acid
CID 170171990
5-methoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 67025414
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
5-[3-[2-chloro-4-[[4-cyclopropyl-1-(2,6-dichloro-4-fluorophenyl)pyrazol-5-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-6-methoxypyridine-3-carboxylic acid
CID 167134331
5-(1-hydroxy-3-phenylmethoxycyclobutyl)-6-methoxypyridine-3-carboxylic acid;1-[5-(1-hydroxy-3-phenylmethoxycyclobutyl)-6-methoxy-3-pyridinyl]ethanone
CID 160629007
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid (CID 167074213) is 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid is C=C1CC(c2cc(C(=O)O)cnc2OC)C1.
What is the InChIKey of 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid?
The InChIKey is GVSVIAOXBKZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-7-3-8(4-7)10-5-9(12(14)15)6-13-11(10)16-2/h5-6,8H,1,3-4H2,2H3,(H,14,15).
What are the key properties of 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid?
6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167074213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).