(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid

C10H11NO3 — CID 103347787

IUPAC(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
SMILESCOc1cccc(/C=C(/C)C(=O)O)n1
InChIInChI=1S/C10H11NO3/c1-7(10(12)13)6-8-4-3-5-9(11-8)14-2/h3-6H,1-2H3,(H,12,13)/b7-6-
InChIKeyTYXZMCNBAABTGY-SREVYHEPSA-N
MW193.20 g/mol
LogP1.58
Rot. Bonds3

About (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid

(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid (PubChem CID 103347787) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
PubChem CID103347787
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid
SMILESCOc1cccc(/C=C(/C)C(=O)O)n1
InChIInChI=1S/C10H11NO3/c1-7(10(12)13)6-8-4-3-5-9(11-8)14-2/h3-6H,1-2H3,(H,12,13)/b7-6-
InChIKeyTYXZMCNBAABTGY-SREVYHEPSA-N
XLogP1.58
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 ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid?
The IUPAC name of (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid (CID 103347787) is (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid is COc1cccc(/C=C(/C)C(=O)O)n1.
What is the InChIKey of (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid?
The InChIKey is TYXZMCNBAABTGY-SREVYHEPSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(10(12)13)6-8-4-3-5-9(11-8)14-2/h3-6H,1-2H3,(H,12,13)/b7-6-.
What are the key properties of (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid?
(Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 103347787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).