methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate

C9H11NO4 — CID 162911096

IUPACmethyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc([C@@H](O)CO)c1
InChIInChI=1S/C9H11NO4/c1-14-9(13)6-2-3-10-7(4-6)8(12)5-11/h2-4,8,11-12H,5H2,1H3/t8-/m0/s1
InChIKeyAWMXEZQAIYIMKH-QMMMGPOBSA-N
MW197.19 g/mol
LogP-0.11
Rot. Bonds3

About methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate

methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate (PubChem CID 162911096) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
PubChem CID162911096
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc([C@@H](O)CO)c1
InChIInChI=1S/C9H11NO4/c1-14-9(13)6-2-3-10-7(4-6)8(12)5-11/h2-4,8,11-12H,5H2,1H3/t8-/m0/s1
InChIKeyAWMXEZQAIYIMKH-QMMMGPOBSA-N
XLogP-0.11
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-4-carboxylate
CID 170822396
methyl 2-(3-amino-1,2-dihydroxy-3-oxopropyl)pyridine-4-carboxylate
CID 171868625
methyl 2-(4-acetylsulfanyl-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171876346
methyl 2-(4-azido-1,2-dihydroxybutyl)pyridine-4-carboxylate
CID 171879927
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-[4-(2,3-dihydroxypropylamino)phenyl]sulfanylpyridine-4-carboxylate
CID 168596705
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
methyl 2-(2-oxodecan-4-yl)pyridine-4-carboxylate
CID 132838409
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
ethyl 2-[amino-(hydroxyamino)methyl]pyridine-4-carboxylate
CID 139997586

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate (CID 162911096) is methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate is COC(=O)c1ccnc([C@@H](O)CO)c1.
What is the InChIKey of methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate?
The InChIKey is AWMXEZQAIYIMKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO4/c1-14-9(13)6-2-3-10-7(4-6)8(12)5-11/h2-4,8,11-12H,5H2,1H3/t8-/m0/s1.
What are the key properties of methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate?
methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate is sourced from PubChem (CID 162911096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).