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

C7H4BrF2N3 — CID 130101612

IUPAC6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(N)nc(C(F)F)c1Br
InChIInChI=1S/C7H4BrF2N3/c8-5-3(2-11)1-4(12)13-6(5)7(9)10/h1,7H,(H2,12,13)
InChIKeyILTZUIJCBHPTAE-UHFFFAOYSA-N
MW248.03 g/mol
LogP2.24
Rot. Bonds1

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

6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130101612) has the molecular formula C7H4BrF2N3 and a molecular weight of 248.03 g/mol. Its IUPAC name is 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130101612
Molecular FormulaC7H4BrF2N3
Molecular Weight248.03 g/mol
Exact Mass246.96
IUPAC Name6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(N)nc(C(F)F)c1Br
InChIInChI=1S/C7H4BrF2N3/c8-5-3(2-11)1-4(12)13-6(5)7(9)10/h1,7H,(H2,12,13)
InChIKeyILTZUIJCBHPTAE-UHFFFAOYSA-N
XLogP2.24
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.03
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130108571
6-amino-2-(difluoromethyl)-3-hydroxypyridine-4-carbonitrile
CID 130103207
3-bromo-2-(difluoromethyl)-6-formylpyridine-4-carbonitrile
CID 130108996
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
5-amino-6-(difluoromethyl)-2-fluoropyridine-3-carbonitrile
CID 130103192
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
4-bromo-6-(difluoromethyl)-5-methylpyridin-2-amine
CID 130101783
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108642
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile (CID 130101612) is 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1cc(N)nc(C(F)F)c1Br.
What is the InChIKey of 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is ILTZUIJCBHPTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N3/c8-5-3(2-11)1-4(12)13-6(5)7(9)10/h1,7H,(H2,12,13).
What are the key properties of 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile?
6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 248.03 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-bromo-2-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130101612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).