2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid

C12H15NO3 — CID 117045771

IUPAC2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
SMILESCC1(Oc2ncccc2C(=O)O)CCCC1
InChIInChI=1S/C12H15NO3/c1-12(6-2-3-7-12)16-10-9(11(14)15)5-4-8-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyCKORLGGVASXLKV-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.49
Rot. Bonds3

About 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid

2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid (PubChem CID 117045771) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
PubChem CID117045771
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
SMILESCC1(Oc2ncccc2C(=O)O)CCCC1
InChIInChI=1S/C12H15NO3/c1-12(6-2-3-7-12)16-10-9(11(14)15)5-4-8-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyCKORLGGVASXLKV-UHFFFAOYSA-N
XLogP2.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-methylcyclopentyl)oxy-3-pyridinyl]methanamine
CID 117045767
2-[3-(trifluoromethyl)pyrrolidin-3-yl]oxypyridine-3-carboxylic acid
CID 117096529
3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
CID 117054021
2-(2-oxopropoxy)pyridine-3-carboxylic acid
CID 89326483
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
2-(2-hydroxy-2-methylpropanoyl)oxypyridine-3-carboxylic acid
CID 117096547
2-but-2-enoxypyridine-3-carboxylic acid
CID 76938057
2-(2-aminopropoxy)pyridine-3-carboxylic acid
CID 117096540
2-[(2,2-dimethyl-1,3-dioxol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 141264679
2-(3-methylpiperidin-3-yl)oxybenzoic acid
CID 117053969
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-(2-pyridin-4-ylpropan-2-yloxy)pyridine-3-carboxylic acid
CID 117096595

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid?
The IUPAC name of 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid (CID 117045771) is 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid.
What is the SMILES notation for 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid?
The canonical SMILES for 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid is CC1(Oc2ncccc2C(=O)O)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid?
The InChIKey is CKORLGGVASXLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(6-2-3-7-12)16-10-9(11(14)15)5-4-8-13-10/h4-5,8H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid?
2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid is sourced from PubChem (CID 117045771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).