(E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal

C11H9FN2O — CID 88588301

IUPAC(E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal
SMILESCn1cc2c(/C=C/C=O)c(F)ccc2n1
InChIInChI=1S/C11H9FN2O/c1-14-7-9-8(3-2-6-15)10(12)4-5-11(9)13-14/h2-7H,1H3/b3-2+
InChIKeyHDYOJWPWHWRPIQ-NSCUHMNNSA-N
MW204.20 g/mol
LogP1.92
Rot. Bonds2

About (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal

(E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal (PubChem CID 88588301) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal
PubChem CID88588301
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal
SMILESCn1cc2c(/C=C/C=O)c(F)ccc2n1
InChIInChI=1S/C11H9FN2O/c1-14-7-9-8(3-2-6-15)10(12)4-5-11(9)13-14/h2-7H,1H3/b3-2+
InChIKeyHDYOJWPWHWRPIQ-NSCUHMNNSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal?
The IUPAC name of (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal (CID 88588301) is (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal?
The canonical SMILES for (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal is Cn1cc2c(/C=C/C=O)c(F)ccc2n1.
What is the InChIKey of (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal?
The InChIKey is HDYOJWPWHWRPIQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-14-7-9-8(3-2-6-15)10(12)4-5-11(9)13-14/h2-7H,1H3/b3-2+.
What are the key properties of (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal?
(E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal has a molecular weight of 204.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-2-methylindazol-4-yl)prop-2-enal is sourced from PubChem (CID 88588301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).