methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate

C10H11NO3 — CID 131192690

IUPACmethyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2(O)CC2)nc1
InChIInChI=1S/C10H11NO3/c1-14-9(12)7-2-3-8(11-6-7)10(13)4-5-10/h2-3,6,13H,4-5H2,1H3
InChIKeyYQMVAAMDTBKWMZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.85
Rot. Bonds2

About methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate

methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate (PubChem CID 131192690) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
PubChem CID131192690
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C2(O)CC2)nc1
InChIInChI=1S/C10H11NO3/c1-14-9(12)7-2-3-8(11-6-7)10(13)4-5-10/h2-3,6,13H,4-5H2,1H3
InChIKeyYQMVAAMDTBKWMZ-UHFFFAOYSA-N
XLogP0.85
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate (CID 131192690) is methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate is COC(=O)c1ccc(C2(O)CC2)nc1.
What is the InChIKey of methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate?
The InChIKey is YQMVAAMDTBKWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-9(12)7-2-3-8(11-6-7)10(13)4-5-10/h2-3,6,13H,4-5H2,1H3.
What are the key properties of methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate?
methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate is sourced from PubChem (CID 131192690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).