2-(3-bromo-1-methylindazol-4-yl)acetonitrile

C10H8BrN3 — CID 84803860

IUPAC2-(3-bromo-1-methylindazol-4-yl)acetonitrile
SMILESCn1nc(Br)c2c(CC#N)cccc21
InChIInChI=1S/C10H8BrN3/c1-14-8-4-2-3-7(5-6-12)9(8)10(11)13-14/h2-4H,5H2,1H3
InChIKeySINLORPXCVIKDL-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.40
Rot. Bonds1

About 2-(3-bromo-1-methylindazol-4-yl)acetonitrile

2-(3-bromo-1-methylindazol-4-yl)acetonitrile (PubChem CID 84803860) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is 2-(3-bromo-1-methylindazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-bromo-1-methylindazol-4-yl)acetonitrile
PubChem CID84803860
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC Name2-(3-bromo-1-methylindazol-4-yl)acetonitrile
SMILESCn1nc(Br)c2c(CC#N)cccc21
InChIInChI=1S/C10H8BrN3/c1-14-8-4-2-3-7(5-6-12)9(8)10(11)13-14/h2-4H,5H2,1H3
InChIKeySINLORPXCVIKDL-UHFFFAOYSA-N
XLogP2.40
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-1-methylindazol-4-yl)propan-2-one
CID 83902578
3-bromo-1-methylindazole-4-carbaldehyde
CID 83824674
2-(3-bromo-1-methylpyrazol-4-yl)acetonitrile
CID 167727780
2-(3-bromo-2H-indazol-4-yl)acetonitrile
CID 84797968
(1-methyl-3-propan-2-ylindazol-4-yl)methanamine
CID 105455775
4-bromo-N,1-dimethylindazol-3-amine
CID 84701824
2-pyrazolo[1,5-a]pyridin-3-ylacetonitrile
CID 14145807
1-(3-bromo-1-methylindazol-7-yl)-N-methylmethanamine
CID 83900931
2-[2-chloro-3-(cyanomethyl)phenyl]acetonitrile
CID 56997307
2-(8-tert-butylnaphthalen-1-yl)acetonitrile
CID 168848356
2-(4-bromo-1,5-dimethylpyrazol-3-yl)acetonitrile
CID 154776027
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylindazol-4-yl)acetonitrile?
The IUPAC name of 2-(3-bromo-1-methylindazol-4-yl)acetonitrile (CID 84803860) is 2-(3-bromo-1-methylindazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(3-bromo-1-methylindazol-4-yl)acetonitrile?
The canonical SMILES for 2-(3-bromo-1-methylindazol-4-yl)acetonitrile is Cn1nc(Br)c2c(CC#N)cccc21.
What is the InChIKey of 2-(3-bromo-1-methylindazol-4-yl)acetonitrile?
The InChIKey is SINLORPXCVIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3/c1-14-8-4-2-3-7(5-6-12)9(8)10(11)13-14/h2-4H,5H2,1H3.
What are the key properties of 2-(3-bromo-1-methylindazol-4-yl)acetonitrile?
2-(3-bromo-1-methylindazol-4-yl)acetonitrile has a molecular weight of 250.10 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylindazol-4-yl)acetonitrile is sourced from PubChem (CID 84803860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).