7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile

C11H10FN3 — CID 166533648

IUPAC7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile
SMILESCC(C)c1ccc(F)c2[nH]nc(C#N)c12
InChIInChI=1S/C11H10FN3/c1-6(2)7-3-4-8(12)11-10(7)9(5-13)14-15-11/h3-4,6H,1-2H3,(H,14,15)
InChIKeyCXOMEFGJRYIVIS-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.70
Rot. Bonds1

About 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile

7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile (PubChem CID 166533648) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile.

Molecular Properties

Compound Name7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile
PubChem CID166533648
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile
SMILESCC(C)c1ccc(F)c2[nH]nc(C#N)c12
InChIInChI=1S/C11H10FN3/c1-6(2)7-3-4-8(12)11-10(7)9(5-13)14-15-11/h3-4,6H,1-2H3,(H,14,15)
InChIKeyCXOMEFGJRYIVIS-UHFFFAOYSA-N
XLogP2.70
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-fluoro-4-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile
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6-bromo-3-fluoropyridine-2-carbonitrile
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7-methoxy-4-(trifluoromethyl)-1H-pyrazolo[5,4-c]pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile?
The IUPAC name of 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile (CID 166533648) is 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile.
What is the SMILES notation for 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile?
The canonical SMILES for 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile is CC(C)c1ccc(F)c2[nH]nc(C#N)c12.
What is the InChIKey of 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile?
The InChIKey is CXOMEFGJRYIVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c1-6(2)7-3-4-8(12)11-10(7)9(5-13)14-15-11/h3-4,6H,1-2H3,(H,14,15).
What are the key properties of 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile?
7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile has a molecular weight of 203.22 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-propan-2-yl-1H-indazole-3-carbonitrile is sourced from PubChem (CID 166533648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).