6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid

C14H17NO4 — CID 71087611

IUPAC6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2(O)CCC2)c(OCC2CC2)n1
InChIInChI=1S/C14H17NO4/c16-13(17)11-5-4-10(14(18)6-1-7-14)12(15-11)19-8-9-2-3-9/h4-5,9,18H,1-3,6-8H2,(H,16,17)
InChIKeyHIRCJGIMFLTCHI-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.94
Rot. Bonds5

About 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid

6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid (PubChem CID 71087611) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid
PubChem CID71087611
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2(O)CCC2)c(OCC2CC2)n1
InChIInChI=1S/C14H17NO4/c16-13(17)11-5-4-10(14(18)6-1-7-14)12(15-11)19-8-9-2-3-9/h4-5,9,18H,1-3,6-8H2,(H,16,17)
InChIKeyHIRCJGIMFLTCHI-UHFFFAOYSA-N
XLogP1.94
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid (CID 71087611) is 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C2(O)CCC2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid?
The InChIKey is HIRCJGIMFLTCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(17)11-5-4-10(14(18)6-1-7-14)12(15-11)19-8-9-2-3-9/h4-5,9,18H,1-3,6-8H2,(H,16,17).
What are the key properties of 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid?
6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 71087611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).