3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid

C12H15NO3 — CID 171365286

IUPAC3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
SMILESCc1cc(C2CCOCC2)cnc1C(=O)O
InChIInChI=1S/C12H15NO3/c1-8-6-10(7-13-11(8)12(14)15)9-2-4-16-5-3-9/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyCFZZKRXBJVOWHW-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.98
Rot. Bonds2

About 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid

3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid (PubChem CID 171365286) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
PubChem CID171365286
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid
SMILESCc1cc(C2CCOCC2)cnc1C(=O)O
InChIInChI=1S/C12H15NO3/c1-8-6-10(7-13-11(8)12(14)15)9-2-4-16-5-3-9/h6-7,9H,2-5H2,1H3,(H,14,15)
InChIKeyCFZZKRXBJVOWHW-UHFFFAOYSA-N
XLogP1.98
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-dioxothian-4-yl)-3-methylpyridine-2-carboxylic acid
CID 169081411
1-[[5-(oxan-4-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975899
2-methoxy-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115033808
2-chloro-5-(oxolan-3-yl)pyridine-3-carboxylic acid
CID 115036379
[4-methyl-3-(oxan-4-yl)-2-pyridinyl] hydrogen carbonate
CID 122698511
5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
CID 83824583
6-cyclopropylfuro[3,2-b]pyridine-3-carboxylic acid
CID 141444661
3-amino-5-(oxan-4-yl)benzoic acid
CID 67514172
5-(oxan-4-yl)-2-propan-2-ylpyridin-3-amine
CID 83917616
5-(oxan-4-yl)pyridine-3-carboxamide
CID 175967807
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 67380856
3-methyl-4-(oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CID 105464779

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid (CID 171365286) is 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid is Cc1cc(C2CCOCC2)cnc1C(=O)O.
What is the InChIKey of 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid?
The InChIKey is CFZZKRXBJVOWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-6-10(7-13-11(8)12(14)15)9-2-4-16-5-3-9/h6-7,9H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid?
3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 171365286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).