6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile

C10H9BrN2 — CID 86674770

IUPAC6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile
SMILESN#Cc1ccc(C2CC2)c(CBr)n1
InChIInChI=1S/C10H9BrN2/c11-5-10-9(7-1-2-7)4-3-8(6-12)13-10/h3-4,7H,1-2,5H2
InChIKeyJONAGFJHRCKBKE-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.73
Rot. Bonds2

About 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile

6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile (PubChem CID 86674770) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile
PubChem CID86674770
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile
SMILESN#Cc1ccc(C2CC2)c(CBr)n1
InChIInChI=1S/C10H9BrN2/c11-5-10-9(7-1-2-7)4-3-8(6-12)13-10/h3-4,7H,1-2,5H2
InChIKeyJONAGFJHRCKBKE-UHFFFAOYSA-N
XLogP2.73
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile?
The IUPAC name of 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile (CID 86674770) is 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile.
What is the SMILES notation for 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile?
The canonical SMILES for 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile is N#Cc1ccc(C2CC2)c(CBr)n1.
What is the InChIKey of 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile?
The InChIKey is JONAGFJHRCKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-5-10-9(7-1-2-7)4-3-8(6-12)13-10/h3-4,7H,1-2,5H2.
What are the key properties of 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile?
6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile has a molecular weight of 237.10 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-cyclopropylpyridine-2-carbonitrile is sourced from PubChem (CID 86674770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).