methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate

C10H13NO3 — CID 66684512

IUPACmethyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(C)(C)O)c1
InChIInChI=1S/C10H13NO3/c1-10(2,13)8-4-7(5-11-6-8)9(12)14-3/h4-6,13H,1-3H3
InChIKeyUPVZUVYISQEBGY-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.10
Rot. Bonds2

About methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate

methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate (PubChem CID 66684512) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
PubChem CID66684512
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(C)(C)O)c1
InChIInChI=1S/C10H13NO3/c1-10(2,13)8-4-7(5-11-6-8)9(12)14-3/h4-6,13H,1-3H3
InChIKeyUPVZUVYISQEBGY-UHFFFAOYSA-N
XLogP1.10
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]pyridine-3-carboxylate
CID 124637785
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
methyl 5-methylsulfinylpyridine-3-carboxylate
CID 142057010
methyl 5-[(Z)-C-chloro-N-hydroxycarbonimidoyl]pyridine-3-carboxylate
CID 135258489
ethyl 5-(2-methylbutan-2-yl)pyridine-3-carboxylate
CID 178133501
methyl 5-propa-1,2-dienylpyridine-3-carboxylate
CID 134856022
methyl 5-(2-hydroxyethyl)pyridine-3-carboxylate
CID 55266237
3,5-ditert-butylbenzoic acid;methyl 3,5-ditert-butylbenzoate
CID 161481507
5-tert-butylpyridine-3-carboxamide
CID 59788901
methyl 5-[(2-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-3-carboxylate
CID 54371881

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate (CID 66684512) is methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate is COC(=O)c1cncc(C(C)(C)O)c1.
What is the InChIKey of methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
The InChIKey is UPVZUVYISQEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2,13)8-4-7(5-11-6-8)9(12)14-3/h4-6,13H,1-3H3.
What are the key properties of methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate?
methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 66684512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).