3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid

C10H11NO3 — CID 169460544

IUPAC3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
SMILESCOc1ncc(C=CC(=O)O)cc1C
InChIInChI=1S/C10H11NO3/c1-7-5-8(3-4-9(12)13)6-11-10(7)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyLSHVNTFPSSBMSZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.50
Rot. Bonds3

About 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid

3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid (PubChem CID 169460544) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
PubChem CID169460544
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
SMILESCOc1ncc(C=CC(=O)O)cc1C
InChIInChI=1S/C10H11NO3/c1-7-5-8(3-4-9(12)13)6-11-10(7)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyLSHVNTFPSSBMSZ-UHFFFAOYSA-N
XLogP1.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-(4-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638498
(E)-3-[6-(2-bromophenoxy)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633413
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 124501175
(E)-3-[6-(4-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80638506
(E)-3-[6-[ethyl(2-methoxyethyl)amino]-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633399
(E)-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enoic acid
CID 66839567
(Z)-3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoic acid
CID 42553141
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
(E)-3-[6-(4-methoxypiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80633393
(E)-3-[5-methyl-6-[propan-2-yl(propyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633392
3-(6-chloro-5-methoxycarbonyl-3-pyridinyl)prop-2-enoic acid
CID 169460837

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid?
The IUPAC name of 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid (CID 169460544) is 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid?
The canonical SMILES for 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid is COc1ncc(C=CC(=O)O)cc1C.
What is the InChIKey of 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid?
The InChIKey is LSHVNTFPSSBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7-5-8(3-4-9(12)13)6-11-10(7)14-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid?
3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 169460544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).