2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile

C9H8BrF2N3 — CID 130070050

IUPAC2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(Br)c(C(F)F)c1CN
InChIInChI=1S/C9H8BrF2N3/c10-8-7(9(11)12)6(3-14)5(1-2-13)4-15-8/h4,9H,1,3,14H2
InChIKeyXVYMKMHQAZPUBY-UHFFFAOYSA-N
MW276.08 g/mol
LogP2.31
Rot. Bonds3

About 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 130070050) has the molecular formula C9H8BrF2N3 and a molecular weight of 276.08 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID130070050
Molecular FormulaC9H8BrF2N3
Molecular Weight276.08 g/mol
Exact Mass274.99
IUPAC Name2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(Br)c(C(F)F)c1CN
InChIInChI=1S/C9H8BrF2N3/c10-8-7(9(11)12)6(3-14)5(1-2-13)4-15-8/h4,9H,1,3,14H2
InChIKeyXVYMKMHQAZPUBY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
2-[4-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075171
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070162
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168
[2-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]methanamine
CID 130109451
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 130070050) is 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(Br)c(C(F)F)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is XVYMKMHQAZPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N3/c10-8-7(9(11)12)6(3-14)5(1-2-13)4-15-8/h4,9H,1,3,14H2.
What are the key properties of 2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-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-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130070050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).