6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile

C14H9BrN4 — CID 118664334

IUPAC6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile
SMILESCc1cccc(-n2ncc3c(C#N)cc(Br)cc32)n1
InChIInChI=1S/C14H9BrN4/c1-9-3-2-4-14(18-9)19-13-6-11(15)5-10(7-16)12(13)8-17-19/h2-6,8H,1H3
InChIKeyGUAYEHJBQHKWFN-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.36
Rot. Bonds1

About 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile

6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile (PubChem CID 118664334) has the molecular formula C14H9BrN4 and a molecular weight of 313.16 g/mol. Its IUPAC name is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile.

Molecular Properties

Compound Name6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile
PubChem CID118664334
Molecular FormulaC14H9BrN4
Molecular Weight313.16 g/mol
Exact Mass312.00
IUPAC Name6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile
SMILESCc1cccc(-n2ncc3c(C#N)cc(Br)cc32)n1
InChIInChI=1S/C14H9BrN4/c1-9-3-2-4-14(18-9)19-13-6-11(15)5-10(7-16)12(13)8-17-19/h2-6,8H,1H3
InChIKeyGUAYEHJBQHKWFN-UHFFFAOYSA-N
XLogP3.36
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile?
The IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile (CID 118664334) is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile.
What is the SMILES notation for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile?
The canonical SMILES for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile is Cc1cccc(-n2ncc3c(C#N)cc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile?
The InChIKey is GUAYEHJBQHKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4/c1-9-3-2-4-14(18-9)19-13-6-11(15)5-10(7-16)12(13)8-17-19/h2-6,8H,1H3.
What are the key properties of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile?
6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile has a molecular weight of 313.16 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile is sourced from PubChem (CID 118664334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).