methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate

C10H11NO3 — CID 67860583

IUPACmethyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C(=CO)c1cccnc1C
InChIInChI=1S/C10H11NO3/c1-7-8(4-3-5-11-7)9(6-12)10(13)14-2/h3-6,12H,1-2H3
InChIKeyBUZGLKALFZRWCP-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.46
Rot. Bonds2

About methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate

methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 67860583) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate
PubChem CID67860583
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)C(=CO)c1cccnc1C
InChIInChI=1S/C10H11NO3/c1-7-8(4-3-5-11-7)9(6-12)10(13)14-2/h3-6,12H,1-2H3
InChIKeyBUZGLKALFZRWCP-UHFFFAOYSA-N
XLogP1.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methylpyridine-3-carboxylate
CID 7015327
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
O-methyl 2-methylpyridine-3-carbothioate
CID 54538042
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
CID 130130051
2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
methyl 2-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-hydroxyprop-2-enoate
CID 67704171

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate (CID 67860583) is methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate is COC(=O)C(=CO)c1cccnc1C.
What is the InChIKey of methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is BUZGLKALFZRWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-8(4-3-5-11-7)9(6-12)10(13)14-2/h3-6,12H,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate?
methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 67860583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).