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

C10H8F5N3 — CID 118853773

IUPAC2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(CN)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F5N3/c11-9(12)5-3-6(10(13,14)15)7(1-2-16)18-8(5)4-17/h3,9H,1,4,17H2
InChIKeyGGVRRPNPMJJUGO-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.56
Rot. Bonds3

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

2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 118853773) has the molecular formula C10H8F5N3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID118853773
Molecular FormulaC10H8F5N3
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(CN)c(C(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F5N3/c11-9(12)5-3-6(10(13,14)15)7(1-2-16)18-8(5)4-17/h3,9H,1,4,17H2
InChIKeyGGVRRPNPMJJUGO-UHFFFAOYSA-N
XLogP2.56
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-[3-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104127
2-[6-(difluoromethyl)-5-hydroxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118842791
6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-sulfonamide
CID 118808682
2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
2-[6-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 171029764
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
3-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130103406
[5-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanamine
CID 118842676
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130088430
2-[3-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134684089

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 118853773) is 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(CN)c(C(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is GGVRRPNPMJJUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3/c11-9(12)5-3-6(10(13,14)15)7(1-2-16)18-8(5)4-17/h3,9H,1,4,17H2.
What are the key properties of 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 265.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118853773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).