6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile

C8H6BrF2N3 — CID 118825680

IUPAC6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)c(CN)nc1C(F)F
InChIInChI=1S/C8H6BrF2N3/c9-5-1-4(2-12)7(8(10)11)14-6(5)3-13/h1,8H,3,13H2
InChIKeyUDCHHEXDQFMGDZ-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.11
Rot. Bonds2

About 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile

6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118825680) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118825680
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)c(CN)nc1C(F)F
InChIInChI=1S/C8H6BrF2N3/c9-5-1-4(2-12)7(8(10)11)14-6(5)3-13/h1,8H,3,13H2
InChIKeyUDCHHEXDQFMGDZ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
2-(difluoromethyl)-5,6-dimethylpyridine-3-carbonitrile
CID 130101068
[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118825637

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile (CID 118825680) is 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cc(Br)c(CN)nc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UDCHHEXDQFMGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-5-1-4(2-12)7(8(10)11)14-6(5)3-13/h1,8H,3,13H2.
What are the key properties of 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 262.06 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118825680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).