2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile

C10H9ClF2N2 — CID 130090400

IUPAC2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(C(F)F)nc(CC#N)c1CCl
InChIInChI=1S/C10H9ClF2N2/c1-6-4-9(10(12)13)15-8(2-3-14)7(6)5-11/h4,10H,2,5H2,1H3
InChIKeyRIHNDTNFADATFH-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.13
Rot. Bonds3

About 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile

2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile (PubChem CID 130090400) has the molecular formula C10H9ClF2N2 and a molecular weight of 230.64 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
PubChem CID130090400
Molecular FormulaC10H9ClF2N2
Molecular Weight230.64 g/mol
Exact Mass230.04
IUPAC Name2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
SMILESCc1cc(C(F)F)nc(CC#N)c1CCl
InChIInChI=1S/C10H9ClF2N2/c1-6-4-9(10(12)13)15-8(2-3-14)7(6)5-11/h4,10H,2,5H2,1H3
InChIKeyRIHNDTNFADATFH-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
2-[4-bromo-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070560
2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
2-[5-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130090371
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
2-[4-chloro-6-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 118845077
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile (CID 130090400) is 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile is Cc1cc(C(F)F)nc(CC#N)c1CCl.
What is the InChIKey of 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
The InChIKey is RIHNDTNFADATFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2/c1-6-4-9(10(12)13)15-8(2-3-14)7(6)5-11/h4,10H,2,5H2,1H3.
What are the key properties of 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile?
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile has a molecular weight of 230.64 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130090400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).