6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid

C10H11NO3 — CID 175489334

IUPAC6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid
SMILESCc1cc(C2CCO2)c(C(=O)O)cn1
InChIInChI=1S/C10H11NO3/c1-6-4-7(9-2-3-14-9)8(5-11-6)10(12)13/h4-5,9H,2-3H2,1H3,(H,12,13)
InChIKeyQRUMFYOWMZTCMA-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.55
Rot. Bonds2

About 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid

6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid (PubChem CID 175489334) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid
PubChem CID175489334
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid
SMILESCc1cc(C2CCO2)c(C(=O)O)cn1
InChIInChI=1S/C10H11NO3/c1-6-4-7(9-2-3-14-9)8(5-11-6)10(12)13/h4-5,9H,2-3H2,1H3,(H,12,13)
InChIKeyQRUMFYOWMZTCMA-UHFFFAOYSA-N
XLogP1.55
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid (CID 175489334) is 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid is Cc1cc(C2CCO2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is QRUMFYOWMZTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-4-7(9-2-3-14-9)8(5-11-6)10(12)13/h4-5,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid?
6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxetan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 175489334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).