methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate

C10H11NO3 — CID 174428157

IUPACmethyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1cc(OC)ccn1
InChIInChI=1S/C10H11NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-6H,1H2,2-3H3
InChIKeyBXOLLZDMFZWDLE-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate

methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate (PubChem CID 174428157) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate
PubChem CID174428157
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate
SMILESC=C(C(=O)OC)c1cc(OC)ccn1
InChIInChI=1S/C10H11NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-6H,1H2,2-3H3
InChIKeyBXOLLZDMFZWDLE-UHFFFAOYSA-N
XLogP1.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxypyridine-2-carbothioamide
CID 62926631
methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
CID 116843206
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
N-[(4-methoxy-2-pyridinyl)methyl]acetamide
CID 121378949
(4-methoxy-2-pyridinyl)-(3-methyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134435993
4-(2-bromo-4-methoxyphenoxy)-N-ethylpyridine-2-carboxamide
CID 104707708
4-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 91778944
CID 169248442
CID 169248442
N-[2-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
CID 91786506
methyl 4-(2-aminoethoxy)pyridine-2-carboxylate
CID 66286147
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
4-(3,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53223777

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate?
The IUPAC name of methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate (CID 174428157) is methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate is C=C(C(=O)OC)c1cc(OC)ccn1.
What is the InChIKey of methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate?
The InChIKey is BXOLLZDMFZWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(12)14-3)9-6-8(13-2)4-5-11-9/h4-6H,1H2,2-3H3.
What are the key properties of methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate?
methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 174428157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).