6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile

C13H7BrN4 — CID 118664660

IUPAC6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H7BrN4/c14-10-5-4-9-8-16-18(12(9)6-10)13-3-1-2-11(7-15)17-13/h1-6,8H
InChIKeyRKKFIZZVHXGTPN-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.05
Rot. Bonds1

About 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile

6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile (PubChem CID 118664660) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile
PubChem CID118664660
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C13H7BrN4/c14-10-5-4-9-8-16-18(12(9)6-10)13-3-1-2-11(7-15)17-13/h1-6,8H
InChIKeyRKKFIZZVHXGTPN-UHFFFAOYSA-N
XLogP3.05
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Bromoindol-1-yl)pyrimidin-2-amine
CID 71560541
2-(4-Bromophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
CID 82567322
5-bromo-4-N-ethyl-2-indazol-1-ylpyrimidine-4,6-diamine
CID 77106290
5-bromo-N4-(cyclopropylmethyl)-2-(1H-indazol-1-yl)pyrimidine-4,6-diamine
CID 77106291
5-bromo-2-indazol-1-yl-4-N-prop-2-ynylpyrimidine-4,6-diamine
CID 77106292
5-(4-Bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4766762
1-[6-(6-Bromo-1h-indazol-1-yl)-2-pyridinyl]ethanone
CID 118663851
US10246456, Example 249
CID 118664656
6-(6-(3-aminophenyl)-1H-indazol-1-yl)picolinonitrile
CID 118664788
3-Bromo-10-fluoro-pyrimido[1,2-b]indazole
CID 162650798
3,9-Dibromopyrimido[1,2-B]indazole
CID 162651143
3,8-Dibromopyrimido[1,2-b]indazole
CID 162655033

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile (CID 118664660) is 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile is N#Cc1cccc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile?
The InChIKey is RKKFIZZVHXGTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-10-5-4-9-8-16-18(12(9)6-10)13-3-1-2-11(7-15)17-13/h1-6,8H.
What are the key properties of 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile?
6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile has a molecular weight of 299.13 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromoindazol-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 118664660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).