(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid

C9H8FNO2 — CID 118346776

IUPAC(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
SMILESCc1cc(/C=C(\F)C(=O)O)ccn1
InChIInChI=1S/C9H8FNO2/c1-6-4-7(2-3-11-6)5-8(10)9(12)13/h2-5H,1H3,(H,12,13)/b8-5-
InChIKeyYAMVEIQAUUBYAQ-YVMONPNESA-N
MW181.17 g/mol
LogP1.79
Rot. Bonds2

About (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid

(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid (PubChem CID 118346776) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
PubChem CID118346776
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid
SMILESCc1cc(/C=C(\F)C(=O)O)ccn1
InChIInChI=1S/C9H8FNO2/c1-6-4-7(2-3-11-6)5-8(10)9(12)13/h2-5H,1H3,(H,12,13)/b8-5-
InChIKeyYAMVEIQAUUBYAQ-YVMONPNESA-N
XLogP1.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pheniramine Maleate
CID 5282139
Dimethindene Maleate
CID 5282414
trans-3-(3-Pyridyl)acrylic acid
CID 776396
(S)-(+)-Dimethindene maleate
CID 56972160
4-Pyridineacrylic acid
CID 736782
Methyl (2E)-3-(4-pyridinyl)-2-propenoate
CID 5357688
2-Methyl-3-(4-(3-pyridinylmethyl)phenyl)-2-propenoic acid
CID 6437388
1-(2-Methylpyridin-4-yl)ethan-1-one
CID 20705014
(2E)-3-(quinolin-3-yl)prop-2-enoic acid
CID 1472291
(2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CID 6235482
3-(Pyridin-2-yl)prop-2-enoic acid
CID 5356626
Ethyl-3-pyridine acrylate
CID 5371888

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid (CID 118346776) is (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid is Cc1cc(/C=C(\F)C(=O)O)ccn1.
What is the InChIKey of (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid?
The InChIKey is YAMVEIQAUUBYAQ-YVMONPNESA-N. The full InChI is InChI=1S/C9H8FNO2/c1-6-4-7(2-3-11-6)5-8(10)9(12)13/h2-5H,1H3,(H,12,13)/b8-5-.
What are the key properties of (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid?
(Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid has a molecular weight of 181.17 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(2-methyl-4-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 118346776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).