4-(6-methoxypyridazin-3-yl)but-3-enoic acid

C9H10N2O3 — CID 170483252

IUPAC4-(6-methoxypyridazin-3-yl)but-3-enoic acid
SMILESCOc1ccc(C=CCC(=O)O)nn1
InChIInChI=1S/C9H10N2O3/c1-14-8-6-5-7(10-11-8)3-2-4-9(12)13/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyYNDZQEVJHREWER-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.97
Rot. Bonds4

About 4-(6-methoxypyridazin-3-yl)but-3-enoic acid

4-(6-methoxypyridazin-3-yl)but-3-enoic acid (PubChem CID 170483252) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(6-methoxypyridazin-3-yl)but-3-enoic acid.

Molecular Properties

Compound Name4-(6-methoxypyridazin-3-yl)but-3-enoic acid
PubChem CID170483252
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-(6-methoxypyridazin-3-yl)but-3-enoic acid
SMILESCOc1ccc(C=CCC(=O)O)nn1
InChIInChI=1S/C9H10N2O3/c1-14-8-6-5-7(10-11-8)3-2-4-9(12)13/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyYNDZQEVJHREWER-UHFFFAOYSA-N
XLogP0.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methoxypyridazin-3-yl)but-3-enal
CID 170481536
tert-butyl N-[4-(6-methoxypyridazin-3-yl)but-3-enyl]carbamate
CID 170490124
benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
(E)-4-[4-(6-methoxy-3-pyridinyl)phenyl]but-3-enoic acid
CID 19926608
6-methoxypyridazine-3-carbaldehyde
CID 13227306
4-(6-methoxy-4-methyl-3-pyridinyl)but-3-enoic acid
CID 170483660
4-(5-chloro-2-pyridinyl)but-3-enoic acid
CID 170483056
4-(2-methoxy-3-pyridinyl)but-3-enoic acid
CID 170483350
4-(5-amino-6-chloro-2-pyridinyl)but-3-enoic acid
CID 170483206
2-(6-methoxypyridazin-3-yl)sulfanylacetic acid
CID 6418483
3-(3-carboxyprop-1-enyl)-2-methoxybenzoic acid
CID 170484118
4-(2-chloro-5-methoxyphenyl)but-3-enoic acid
CID 85222099

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxypyridazin-3-yl)but-3-enoic acid?
The IUPAC name of 4-(6-methoxypyridazin-3-yl)but-3-enoic acid (CID 170483252) is 4-(6-methoxypyridazin-3-yl)but-3-enoic acid.
What is the SMILES notation for 4-(6-methoxypyridazin-3-yl)but-3-enoic acid?
The canonical SMILES for 4-(6-methoxypyridazin-3-yl)but-3-enoic acid is COc1ccc(C=CCC(=O)O)nn1.
What is the InChIKey of 4-(6-methoxypyridazin-3-yl)but-3-enoic acid?
The InChIKey is YNDZQEVJHREWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8-6-5-7(10-11-8)3-2-4-9(12)13/h2-3,5-6H,4H2,1H3,(H,12,13).
What are the key properties of 4-(6-methoxypyridazin-3-yl)but-3-enoic acid?
4-(6-methoxypyridazin-3-yl)but-3-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxypyridazin-3-yl)but-3-enoic acid is sourced from PubChem (CID 170483252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).