2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H8BrF2N3 — CID 130070048

IUPAC2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(Br)cc1CN
InChIInChI=1S/C9H8BrF2N3/c10-6-3-5(4-14)7(1-2-13)15-8(6)9(11)12/h3,9H,1,4,14H2
InChIKeyPNTAWDODZSVAPP-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.31
Rot. Bonds3

About 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130070048) has the molecular formula C9H8BrF2N3 and a molecular weight of 276.08 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130070048
Molecular FormulaC9H8BrF2N3
Molecular Weight276.08 g/mol
Exact Mass274.99
IUPAC Name2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)F)c(Br)cc1CN
InChIInChI=1S/C9H8BrF2N3/c10-6-3-5(4-14)7(1-2-13)15-8(6)9(11)12/h3,9H,1,4,14H2
InChIKeyPNTAWDODZSVAPP-UHFFFAOYSA-N
XLogP2.31
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070026
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
[5-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118825637
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 130081614
2-[4-(aminomethyl)-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118807286
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[3-(chloromethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130082190

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 130070048) is 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)F)c(Br)cc1CN.
What is the InChIKey of 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is PNTAWDODZSVAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N3/c10-6-3-5(4-14)7(1-2-13)15-8(6)9(11)12/h3,9H,1,4,14H2.
What are the key properties of 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 276.08 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130070048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).