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

C9H8F3N3 — CID 130081614

IUPAC2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(CN)c(F)nc1C(F)F
InChIInChI=1S/C9H8F3N3/c10-8(11)7-5(1-2-13)3-6(4-14)9(12)15-7/h3,8H,1,4,14H2
InChIKeyMWDKQKMGGPAZHN-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.68
Rot. Bonds3

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

2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile (PubChem CID 130081614) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
PubChem CID130081614
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(CN)c(F)nc1C(F)F
InChIInChI=1S/C9H8F3N3/c10-8(11)7-5(1-2-13)3-6(4-14)9(12)15-7/h3,8H,1,4,14H2
InChIKeyMWDKQKMGGPAZHN-UHFFFAOYSA-N
XLogP1.68
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.68
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

2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[2-(difluoromethyl)-5,6-difluoro-3-pyridinyl]acetonitrile
CID 119012339
2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetonitrile
CID 130099811
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[3-(aminomethyl)-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070048
2-[4-(aminomethyl)-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 118806694

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile (CID 130081614) is 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile is N#CCc1cc(CN)c(F)nc1C(F)F.
What is the InChIKey of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is MWDKQKMGGPAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-8(11)7-5(1-2-13)3-6(4-14)9(12)15-7/h3,8H,1,4,14H2.
What are the key properties of 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile?
2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile has a molecular weight of 215.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130081614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).