2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile

C14H9BrN4 — CID 118663818

IUPAC2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H9BrN4/c15-11-5-4-10-9-17-19(13(10)8-11)14-3-1-2-12(18-14)6-7-16/h1-5,8-9H,6H2
InChIKeyIBBMTXYDEKXCNY-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.25
Rot. Bonds2

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

2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile (PubChem CID 118663818) has the molecular formula C14H9BrN4 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile
PubChem CID118663818
Molecular FormulaC14H9BrN4
Molecular Weight313.16 g/mol
Exact Mass312.00
IUPAC Name2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C14H9BrN4/c15-11-5-4-10-9-17-19(13(10)8-11)14-3-1-2-12(18-14)6-7-16/h1-5,8-9H,6H2
InChIKeyIBBMTXYDEKXCNY-UHFFFAOYSA-N
XLogP3.25
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile (CID 118663818) is 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile is N#CCc1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile?
The InChIKey is IBBMTXYDEKXCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4/c15-11-5-4-10-9-17-19(13(10)8-11)14-3-1-2-12(18-14)6-7-16/h1-5,8-9H,6H2.
What are the key properties of 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile?
2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile has a molecular weight of 313.16 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-bromoindazol-1-yl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118663818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).