2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile

C7H4BrClN2 — CID 131049356

IUPAC2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile
SMILESN#CCc1cc(Br)cc(Cl)n1
InChIInChI=1S/C7H4BrClN2/c8-5-3-6(1-2-10)11-7(9)4-5/h3-4H,1H2
InChIKeyXHKJHTMAZCWDPV-UHFFFAOYSA-N
MW231.48 g/mol
LogP2.56
Rot. Bonds1

About 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile

2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile (PubChem CID 131049356) has the molecular formula C7H4BrClN2 and a molecular weight of 231.48 g/mol. Its IUPAC name is 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile
PubChem CID131049356
Molecular FormulaC7H4BrClN2
Molecular Weight231.48 g/mol
Exact Mass229.92
IUPAC Name2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile
SMILESN#CCc1cc(Br)cc(Cl)n1
InChIInChI=1S/C7H4BrClN2/c8-5-3-6(1-2-10)11-7(9)4-5/h3-4H,1H2
InChIKeyXHKJHTMAZCWDPV-UHFFFAOYSA-N
XLogP2.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile
CID 15925928
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557
2-[6-bromo-4-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 119018233
2-[4-bromo-5-(difluoromethyl)-6-iodo-2-pyridinyl]acetonitrile
CID 118833024
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
CID 84626490
2-bromo-6-(cyanomethyl)pyridine-4-carboxamide
CID 53421267
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-(6,7-dichloroquinoxalin-2-yl)acetonitrile
CID 126511430
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile (CID 131049356) is 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile is N#CCc1cc(Br)cc(Cl)n1.
What is the InChIKey of 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile?
The InChIKey is XHKJHTMAZCWDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClN2/c8-5-3-6(1-2-10)11-7(9)4-5/h3-4H,1H2.
What are the key properties of 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile?
2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile has a molecular weight of 231.48 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-6-chloro-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131049356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).