methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate

C10H11NO3 — CID 68843294

IUPACmethyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(OC)n1
InChIInChI=1S/C10H11NO3/c1-13-9-5-3-4-8(11-9)6-7-10(12)14-2/h3-7H,1-2H3/b7-6+
InChIKeyBQBVRFQRZQUANE-VOTSOKGWSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds3

About methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate

methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate (PubChem CID 68843294) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
PubChem CID68843294
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(OC)n1
InChIInChI=1S/C10H11NO3/c1-13-9-5-3-4-8(11-9)6-7-10(12)14-2/h3-7H,1-2H3/b7-6+
InChIKeyBQBVRFQRZQUANE-VOTSOKGWSA-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

methyl (E)-3-(6-bromo-2-pyridinyl)prop-2-enoate
CID 66524534
methyl 3-(6-acetyl-2-pyridinyl)prop-2-enoate
CID 169479066
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
CID 103347787
6-bromopyridin-2-amine;methyl (E)-3-(6-amino-2-pyridinyl)prop-2-enoate;methyl prop-2-enoate
CID 158853353
(E)-2-cyano-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid
CID 118142937
methyl 3-(5-amino-6-chloro-2-pyridinyl)prop-2-enoate
CID 169478728
methyl 2-hydroxy-4-methoxy-6-[2-(6-methoxy-2-pyridinyl)ethenyl]benzoate
CID 154074857
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine
CID 103348775
methyl 3-(2-hydroxy-6-methylphenyl)prop-2-enoate
CID 169478717
methyl 3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 57148702

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate (CID 68843294) is methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate is COC(=O)/C=C/c1cccc(OC)n1.
What is the InChIKey of methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
The InChIKey is BQBVRFQRZQUANE-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-13-9-5-3-4-8(11-9)6-7-10(12)14-2/h3-7H,1-2H3/b7-6+.
What are the key properties of methyl (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate?
methyl (E)-3-(6-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 (E)-3-(6-methoxy-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 68843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).