7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole

C12H9FN4 — CID 135319107

IUPAC7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole
SMILESCc1ncc(-c2cc(F)c3[nH]ncc3c2)cn1
InChIInChI=1S/C12H9FN4/c1-7-14-4-10(5-15-7)8-2-9-6-16-17-12(9)11(13)3-8/h2-6H,1H3,(H,16,17)
InChIKeySYCUKFAQCXLIDT-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.47
Rot. Bonds1

About 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole

7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole (PubChem CID 135319107) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole.

Molecular Properties

Compound Name7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole
PubChem CID135319107
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole
SMILESCc1ncc(-c2cc(F)c3[nH]ncc3c2)cn1
InChIInChI=1S/C12H9FN4/c1-7-14-4-10(5-15-7)8-2-9-6-16-17-12(9)11(13)3-8/h2-6H,1H3,(H,16,17)
InChIKeySYCUKFAQCXLIDT-UHFFFAOYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole?
The IUPAC name of 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole (CID 135319107) is 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole.
What is the SMILES notation for 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole?
The canonical SMILES for 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole is Cc1ncc(-c2cc(F)c3[nH]ncc3c2)cn1.
What is the InChIKey of 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole?
The InChIKey is SYCUKFAQCXLIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c1-7-14-4-10(5-15-7)8-2-9-6-16-17-12(9)11(13)3-8/h2-6H,1H3,(H,16,17).
What are the key properties of 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole?
7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole has a molecular weight of 228.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole is sourced from PubChem (CID 135319107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).