2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H8ClF2N3 — CID 130107470

IUPAC2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)c(CCl)c(C(F)F)n1
InChIInChI=1S/C9H8ClF2N3/c10-4-6-7(14)3-5(1-2-13)15-8(6)9(11)12/h3,9H,1,4H2,(H2,14,15)
InChIKeySZQYCSOTDONNGJ-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.41
Rot. Bonds3

About 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130107470) has the molecular formula C9H8ClF2N3 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130107470
Molecular FormulaC9H8ClF2N3
Molecular Weight231.63 g/mol
Exact Mass231.04
IUPAC Name2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(N)c(CCl)c(C(F)F)n1
InChIInChI=1S/C9H8ClF2N3/c10-4-6-7(14)3-5(1-2-13)15-8(6)9(11)12/h3,9H,1,4H2,(H2,14,15)
InChIKeySZQYCSOTDONNGJ-UHFFFAOYSA-N
XLogP2.41
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-[4-amino-2-(difluoromethyl)-6-fluoro-3-pyridinyl]acetonitrile
CID 118823604
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
4-amino-5-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130107562
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134670584
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 130107470) is 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1cc(N)c(CCl)c(C(F)F)n1.
What is the InChIKey of 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is SZQYCSOTDONNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3/c10-4-6-7(14)3-5(1-2-13)15-8(6)9(11)12/h3,9H,1,4H2,(H2,14,15).
What are the key properties of 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 231.63 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130107470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).