7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde

C14H11FN4O — CID 175779490

IUPAC7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde
SMILESCc1ncc(-c2cc(CF)c3n[nH]c(C=O)c3c2)cn1
InChIInChI=1S/C14H11FN4O/c1-8-16-5-11(6-17-8)9-2-10(4-15)14-12(3-9)13(7-20)18-19-14/h2-3,5-7H,4H2,1H3,(H,18,19)
InChIKeyGYZRWYBFPMATIE-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.61
Rot. Bonds3

About 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde

7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde (PubChem CID 175779490) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde
PubChem CID175779490
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde
SMILESCc1ncc(-c2cc(CF)c3n[nH]c(C=O)c3c2)cn1
InChIInChI=1S/C14H11FN4O/c1-8-16-5-11(6-17-8)9-2-10(4-15)14-12(3-9)13(7-20)18-19-14/h2-3,5-7H,4H2,1H3,(H,18,19)
InChIKeyGYZRWYBFPMATIE-UHFFFAOYSA-N
XLogP2.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde?
The IUPAC name of 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde (CID 175779490) is 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde?
The canonical SMILES for 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde is Cc1ncc(-c2cc(CF)c3n[nH]c(C=O)c3c2)cn1.
What is the InChIKey of 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde?
The InChIKey is GYZRWYBFPMATIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-16-5-11(6-17-8)9-2-10(4-15)14-12(3-9)13(7-20)18-19-14/h2-3,5-7H,4H2,1H3,(H,18,19).
What are the key properties of 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde?
7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde has a molecular weight of 270.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 175779490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).