5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole

C12H8ClFN4 — CID 146498704

IUPAC5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole
SMILESCn1ncc2cc(-c3cc(Cl)ncn3)c(F)cc21
InChIInChI=1S/C12H8ClFN4/c1-18-11-3-9(14)8(2-7(11)5-17-18)10-4-12(13)16-6-15-10/h2-6H,1H3
InChIKeyFATPTBSSKXCBEH-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.82
Rot. Bonds1

About 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole

5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole (PubChem CID 146498704) has the molecular formula C12H8ClFN4 and a molecular weight of 262.68 g/mol. Its IUPAC name is 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole.

Molecular Properties

Compound Name5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole
PubChem CID146498704
Molecular FormulaC12H8ClFN4
Molecular Weight262.68 g/mol
Exact Mass262.04
IUPAC Name5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole
SMILESCn1ncc2cc(-c3cc(Cl)ncn3)c(F)cc21
InChIInChI=1S/C12H8ClFN4/c1-18-11-3-9(14)8(2-7(11)5-17-18)10-4-12(13)16-6-15-10/h2-6H,1H3
InChIKeyFATPTBSSKXCBEH-UHFFFAOYSA-N
XLogP2.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole?
The IUPAC name of 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole (CID 146498704) is 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole.
What is the SMILES notation for 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole?
The canonical SMILES for 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole is Cn1ncc2cc(-c3cc(Cl)ncn3)c(F)cc21.
What is the InChIKey of 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole?
The InChIKey is FATPTBSSKXCBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4/c1-18-11-3-9(14)8(2-7(11)5-17-18)10-4-12(13)16-6-15-10/h2-6H,1H3.
What are the key properties of 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole?
5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole has a molecular weight of 262.68 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloropyrimidin-4-yl)-6-fluoro-1-methylindazole is sourced from PubChem (CID 146498704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).