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

C10H6ClF5N2O — CID 134670584

IUPAC2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(CCl)c(OC(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C10H6ClF5N2O/c11-4-5-3-6(1-2-17)18-7(9(12)13)8(5)19-10(14,15)16/h3,9H,1,4H2
InChIKeyKBDIKJZLKPVDGR-UHFFFAOYSA-N
MW300.61 g/mol
LogP3.72
Rot. Bonds4

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

2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile (PubChem CID 134670584) has the molecular formula C10H6ClF5N2O and a molecular weight of 300.61 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
PubChem CID134670584
Molecular FormulaC10H6ClF5N2O
Molecular Weight300.61 g/mol
Exact Mass300.01
IUPAC Name2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(CCl)c(OC(F)(F)F)c(C(F)F)n1
InChIInChI=1S/C10H6ClF5N2O/c11-4-5-3-6(1-2-17)18-7(9(12)13)8(5)19-10(14,15)16/h3,9H,1,4H2
InChIKeyKBDIKJZLKPVDGR-UHFFFAOYSA-N
XLogP3.72
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.61
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
2-[2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803852
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
2-[4-(chloromethyl)-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133094654
2-[5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134671786
2-[4-(bromomethyl)-6-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134661523
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[3-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134676120
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile (CID 134670584) is 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile is N#CCc1cc(CCl)c(OC(F)(F)F)c(C(F)F)n1.
What is the InChIKey of 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
The InChIKey is KBDIKJZLKPVDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF5N2O/c11-4-5-3-6(1-2-17)18-7(9(12)13)8(5)19-10(14,15)16/h3,9H,1,4H2.
What are the key properties of 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile?
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile has a molecular weight of 300.61 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134670584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).