1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile

C16H11BrN4 — CID 130248821

IUPAC1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cccc(-n3ncc4ccc(Br)cc43)n2)CC1
InChIInChI=1S/C16H11BrN4/c17-12-5-4-11-9-19-21(13(11)8-12)15-3-1-2-14(20-15)16(10-18)6-7-16/h1-5,8-9H,6-7H2
InChIKeyLNBWVOBKRAIDHL-UHFFFAOYSA-N
MW339.20 g/mol
LogP3.74
Rot. Bonds2

About 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile

1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile (PubChem CID 130248821) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile
PubChem CID130248821
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC Name1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cccc(-n3ncc4ccc(Br)cc43)n2)CC1
InChIInChI=1S/C16H11BrN4/c17-12-5-4-11-9-19-21(13(11)8-12)15-3-1-2-14(20-15)16(10-18)6-7-16/h1-5,8-9H,6-7H2
InChIKeyLNBWVOBKRAIDHL-UHFFFAOYSA-N
XLogP3.74
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile (CID 130248821) is 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile is N#CC1(c2cccc(-n3ncc4ccc(Br)cc43)n2)CC1.
What is the InChIKey of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile?
The InChIKey is LNBWVOBKRAIDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c17-12-5-4-11-9-19-21(13(11)8-12)15-3-1-2-14(20-15)16(10-18)6-7-16/h1-5,8-9H,6-7H2.
What are the key properties of 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile?
1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile has a molecular weight of 339.20 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130248821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).