6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile

C8H6BrF2N3 — CID 118847980

IUPAC6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CN)c(Br)c1C(F)F
InChIInChI=1S/C8H6BrF2N3/c9-7-5(2-13)14-3-4(1-12)6(7)8(10)11/h3,8H,2,13H2
InChIKeyDMHBLRYQARBFTQ-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.11
Rot. Bonds2

About 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile

6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118847980) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118847980
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CN)c(Br)c1C(F)F
InChIInChI=1S/C8H6BrF2N3/c9-7-5(2-13)14-3-4(1-12)6(7)8(10)11/h3,8H,2,13H2
InChIKeyDMHBLRYQARBFTQ-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

5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
6-bromo-4-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 130108625
ethyl 3-bromo-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134668069
6-bromo-5-chloro-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130107758
2-(aminomethyl)-4-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118831356
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carbonitrile
CID 118825663
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile (CID 118847980) is 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(CN)c(Br)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DMHBLRYQARBFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-7-5(2-13)14-3-4(1-12)6(7)8(10)11/h3,8H,2,13H2.
What are the key properties of 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile?
6-(aminomethyl)-5-bromo-4-(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-4-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118847980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).