6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile

C8H6BrF2N3 — CID 130103415

IUPAC6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(N)nc1CBr
InChIInChI=1S/C8H6BrF2N3/c9-2-6-5(3-12)4(8(10)11)1-7(13)14-6/h1,8H,2H2,(H2,13,14)
InChIKeyCHPFUHYELUWMNL-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.37
Rot. Bonds2

About 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile

6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130103415) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130103415
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(N)nc1CBr
InChIInChI=1S/C8H6BrF2N3/c9-2-6-5(3-12)4(8(10)11)1-7(13)14-6/h1,8H,2H2,(H2,13,14)
InChIKeyCHPFUHYELUWMNL-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-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
CID 130106324
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130077319
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
6-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118849411
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
5-bromo-6-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108805
6-(aminomethyl)-4-(difluoromethyl)pyridine-2,5-diamine
CID 118836943
2-(bromomethyl)-3-cyano-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 130078991
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
6-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103568

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile (CID 130103415) is 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(N)nc1CBr.
What is the InChIKey of 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is CHPFUHYELUWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-2-6-5(3-12)4(8(10)11)1-7(13)14-6/h1,8H,2H2,(H2,13,14).
What are the key properties of 6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile?
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-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-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130103415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).