methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate

C13H15NO3 — CID 4736758

IUPACmethyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C2=C(O)CCCC2)c1
InChIInChI=1S/C13H15NO3/c1-17-13(16)9-6-7-14-11(8-9)10-4-2-3-5-12(10)15/h6-8,15H,2-5H2,1H3
InChIKeyBUWQOPGIAQMOKG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.71
Rot. Bonds2

About methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate

methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate (PubChem CID 4736758) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate
PubChem CID4736758
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namemethyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C2=C(O)CCCC2)c1
InChIInChI=1S/C13H15NO3/c1-17-13(16)9-6-7-14-11(8-9)10-4-2-3-5-12(10)15/h6-8,15H,2-5H2,1H3
InChIKeyBUWQOPGIAQMOKG-UHFFFAOYSA-N
XLogP2.71
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-ethylphenyl)pyridine-4-carboxylate
CID 172552381
methyl 2-(4,6-dichloropyrimidin-2-yl)pyridine-4-carboxylate
CID 131839676
methyl 2-anthracen-9-ylpyridine-4-carboxylate
CID 170699515
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
methyl 2-(4-chloro-3,5-difluorophenyl)pyridine-4-carboxylate;hydrochloride
CID 66732376
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(4-chloro-3-fluorophenyl)pyridine-4-carboxylate
CID 66731831
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate (CID 4736758) is methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(C2=C(O)CCCC2)c1.
What is the InChIKey of methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate?
The InChIKey is BUWQOPGIAQMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-13(16)9-6-7-14-11(8-9)10-4-2-3-5-12(10)15/h6-8,15H,2-5H2,1H3.
What are the key properties of methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate?
methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxycyclohexen-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 4736758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).