methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate

C15H19NO4 — CID 129095951

IUPACmethyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(/C=C/C2(O)CCC(O)CC2)c1
InChIInChI=1S/C15H19NO4/c1-20-14(18)11-5-9-16-12(10-11)2-6-15(19)7-3-13(17)4-8-15/h2,5-6,9-10,13,17,19H,3-4,7-8H2,1H3/b6-2+
InChIKeyCZCRVDSWMKWBTR-QHHAFSJGSA-N
MW277.32 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate

methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate (PubChem CID 129095951) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate
PubChem CID129095951
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(/C=C/C2(O)CCC(O)CC2)c1
InChIInChI=1S/C15H19NO4/c1-20-14(18)11-5-9-16-12(10-11)2-6-15(19)7-3-13(17)4-8-15/h2,5-6,9-10,13,17,19H,3-4,7-8H2,1H3/b6-2+
InChIKeyCZCRVDSWMKWBTR-QHHAFSJGSA-N
XLogP1.55
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(E)-2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethenyl]pyridine-4-carboxylate
CID 129096077
methyl 2-(4-chlorobut-1-enyl)pyridine-4-carboxylate
CID 170499563
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
CID 114108227
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114075096
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 114074924
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
CID 114075047
methyl 3-(2-amino-4-pyridinyl)benzoate
CID 82556028
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate (CID 129095951) is methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate is COC(=O)c1ccnc(/C=C/C2(O)CCC(O)CC2)c1.
What is the InChIKey of methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate?
The InChIKey is CZCRVDSWMKWBTR-QHHAFSJGSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-14(18)11-5-9-16-12(10-11)2-6-15(19)7-3-13(17)4-8-15/h2,5-6,9-10,13,17,19H,3-4,7-8H2,1H3/b6-2+.
What are the key properties of methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate?
methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-2-(1,4-dihydroxycyclohexyl)ethenyl]pyridine-4-carboxylate is sourced from PubChem (CID 129095951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).