5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid

C14H17NO4 — CID 118394075

IUPAC5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCOCC2)c(C2CC2)c1
InChIInChI=1S/C14H17NO4/c16-14(17)10-7-12(9-1-2-9)13(15-8-10)19-11-3-5-18-6-4-11/h7-9,11H,1-6H2,(H,16,17)
InChIKeyQZFUYHVOGRPYHZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.21
Rot. Bonds4

About 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid

5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid (PubChem CID 118394075) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
PubChem CID118394075
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(OC2CCOCC2)c(C2CC2)c1
InChIInChI=1S/C14H17NO4/c16-14(17)10-7-12(9-1-2-9)13(15-8-10)19-11-3-5-18-6-4-11/h7-9,11H,1-6H2,(H,16,17)
InChIKeyQZFUYHVOGRPYHZ-UHFFFAOYSA-N
XLogP2.21
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxylic acid
CID 125491947
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
5-[(3aR,6aR)-5-[5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]pyridine-2-sulfonamide
CID 118394088
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
3-(oxan-4-yloxy)benzoic acid
CID 23149060
3,5-dimethyl-4-(oxan-4-yloxy)benzoic acid
CID 63937445
6-cyclopentyloxy-5-phenylpyridine-3-carboxylic acid
CID 134391742
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821326
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
6-methoxy-5-(3-methylidenecyclobutyl)pyridine-3-carboxylic acid
CID 167074213
4-[(3aR,6aS)-2-[[5-cyclopropyl-6-(oxan-4-yloxy)-3-pyridinyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]benzenesulfonamide
CID 152679142
[3-[[5-fluoro-3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl] N-tert-butylcarbamate
CID 140572023

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid (CID 118394075) is 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid is O=C(O)c1cnc(OC2CCOCC2)c(C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid?
The InChIKey is QZFUYHVOGRPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(17)10-7-12(9-1-2-9)13(15-8-10)19-11-3-5-18-6-4-11/h7-9,11H,1-6H2,(H,16,17).
What are the key properties of 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid?
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118394075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).