6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

C8H6BrF2N3 — CID 119015380

IUPAC6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CBr)c(C(F)F)c(N)n1
InChIInChI=1S/C8H6BrF2N3/c9-2-4-1-5(3-12)14-8(13)6(4)7(10)11/h1,7H,2H2,(H2,13,14)
InChIKeyRXHUBKASQSEBLF-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.37
Rot. Bonds2

About 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile

6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 119015380) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID119015380
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CBr)c(C(F)F)c(N)n1
InChIInChI=1S/C8H6BrF2N3/c9-2-4-1-5(3-12)14-8(13)6(4)7(10)11/h1,7H,2H2,(H2,13,14)
InChIKeyRXHUBKASQSEBLF-UHFFFAOYSA-N
XLogP2.37
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794
4,6-diamino-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130098584
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
2-amino-6-cyano-3-(difluoromethyl)pyridine-4-carboxamide
CID 118995384
4-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridin-2-amine
CID 119018569
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
4-(bromomethyl)-5-(difluoromethyl)-6-methylpyridin-2-amine
CID 130106319
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130078289
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile (CID 119015380) is 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(CBr)c(C(F)F)c(N)n1.
What is the InChIKey of 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is RXHUBKASQSEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-2-4-1-5(3-12)14-8(13)6(4)7(10)11/h1,7H,2H2,(H2,13,14).
What are the key properties of 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile?
6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 262.06 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 119015380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).