methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate

C9H11NO3 — CID 15719002

IUPACmethyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CCO)ccn1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8-6-7(3-5-11)2-4-10-8/h2,4,6,11H,3,5H2,1H3
InChIKeyQLWMVPTWEPNPPZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.40
Rot. Bonds3

About methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate

methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate (PubChem CID 15719002) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
PubChem CID15719002
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CCO)ccn1
InChIInChI=1S/C9H11NO3/c1-13-9(12)8-6-7(3-5-11)2-4-10-8/h2,4,6,11H,3,5H2,1H3
InChIKeyQLWMVPTWEPNPPZ-UHFFFAOYSA-N
XLogP0.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 170989297
chloroform;methane;methyl 4-ethylpyridine-2-carboxylate;methyl 4-(hydroxymethyl)pyridine-2-carboxylate
CID 164952426
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carboxylate
CID 90375137
methyl 4-[3-(2-aminoethyl)phenyl]pyridine-2-carboxylate
CID 110282305
disodium;methyl 4-fluoropyridine-2-carboxylate;dichloride
CID 172849137
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
methyl 4-dimethylphosphorylpyridine-2-carboxylate
CID 155970992
2-[2-[4-(methoxymethyl)-2-pyridinyl]-4-pyridinyl]ethanol
CID 122547918

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate (CID 15719002) is methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate is COC(=O)c1cc(CCO)ccn1.
What is the InChIKey of methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate?
The InChIKey is QLWMVPTWEPNPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)8-6-7(3-5-11)2-4-10-8/h2,4,6,11H,3,5H2,1H3.
What are the key properties of methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate?
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate is sourced from PubChem (CID 15719002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).