3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide

C7H6Br2N2 — CID 121231605

IUPAC3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
SMILESBr.N#Cc1ncccc1CBr
InChIInChI=1S/C7H5BrN2.BrH/c8-4-6-2-1-3-10-7(6)5-9;/h1-3H,4H2;1H
InChIKeySOKOHAZWKRFYKU-UHFFFAOYSA-N
MW277.95 g/mol
LogP2.43
Rot. Bonds1

About 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide

3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide (PubChem CID 121231605) has the molecular formula C7H6Br2N2 and a molecular weight of 277.95 g/mol. Its IUPAC name is 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide.

Molecular Properties

Compound Name3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
PubChem CID121231605
Molecular FormulaC7H6Br2N2
Molecular Weight277.95 g/mol
Exact Mass275.89
IUPAC Name3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
SMILESBr.N#Cc1ncccc1CBr
InChIInChI=1S/C7H5BrN2.BrH/c8-4-6-2-1-3-10-7(6)5-9;/h1-3H,4H2;1H
InChIKeySOKOHAZWKRFYKU-UHFFFAOYSA-N
XLogP2.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.95
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531
3-(2-aminoethyl)pyridine-2-carbonitrile
CID 83872418
3-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]pyridine-2-carbonitrile
CID 79799573
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
3-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]pyridine-2-carbonitrile
CID 62893586
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-(2-hydroxyethylsulfanylmethyl)pyridine-2-carbonitrile
CID 62893759
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
3-[[(4-bromophenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 62894511
3-[2-(2-methylpropoxy)ethoxymethyl]pyridine-2-carbonitrile
CID 106447603
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide?
The IUPAC name of 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide (CID 121231605) is 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide.
What is the SMILES notation for 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide?
The canonical SMILES for 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide is Br.N#Cc1ncccc1CBr.
What is the InChIKey of 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide?
The InChIKey is SOKOHAZWKRFYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2.BrH/c8-4-6-2-1-3-10-7(6)5-9;/h1-3H,4H2;1H.
What are the key properties of 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide?
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide has a molecular weight of 277.95 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide is sourced from PubChem (CID 121231605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).