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

C8H6BrF2N3 — CID 118824155

IUPAC4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN)c(Br)c(C(F)F)n1
InChIInChI=1S/C8H6BrF2N3/c9-6-4(2-12)1-5(3-13)14-7(6)8(10)11/h1,8H,2,12H2
InChIKeyWARVSMPDWMHTFC-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.11
Rot. Bonds2

About 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile

4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 118824155) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID118824155
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CN)c(Br)c(C(F)F)n1
InChIInChI=1S/C8H6BrF2N3/c9-6-4(2-12)1-5(3-13)14-7(6)8(10)11/h1,8H,2,12H2
InChIKeyWARVSMPDWMHTFC-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

4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 133107066
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-2-carbonitrile
CID 130077512
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
5-(bromomethyl)-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130078886
6-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118853861
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118800135
6-bromo-4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130108794

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile (CID 118824155) is 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1cc(CN)c(Br)c(C(F)F)n1.
What is the InChIKey of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is WARVSMPDWMHTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-6-4(2-12)1-5(3-13)14-7(6)8(10)11/h1,8H,2,12H2.
What are the key properties of 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile?
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-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 4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118824155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).