2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile

C10H9ClF2N2 — CID 130090374

IUPAC2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
SMILESCc1ncc(CC#N)c(C(F)F)c1CCl
InChIInChI=1S/C10H9ClF2N2/c1-6-8(4-11)9(10(12)13)7(2-3-14)5-15-6/h5,10H,2,4H2,1H3
InChIKeyKAHOSFQVMAVGGZ-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.13
Rot. Bonds3

About 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile

2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile (PubChem CID 130090374) has the molecular formula C10H9ClF2N2 and a molecular weight of 230.64 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
PubChem CID130090374
Molecular FormulaC10H9ClF2N2
Molecular Weight230.64 g/mol
Exact Mass230.04
IUPAC Name2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
SMILESCc1ncc(CC#N)c(C(F)F)c1CCl
InChIInChI=1S/C10H9ClF2N2/c1-6-8(4-11)9(10(12)13)7(2-3-14)5-15-6/h5,10H,2,4H2,1H3
InChIKeyKAHOSFQVMAVGGZ-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-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 130090379
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 130090617
2-[4-(difluoromethyl)-5-fluoro-6-methoxy-3-pyridinyl]acetonitrile
CID 133105690
2-[4-(chloromethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133094642
2-[5-(difluoromethyl)-6-methyl-4-nitro-3-pyridinyl]acetonitrile
CID 133098760
2-[6-amino-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 118990572
2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
2-[4-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075171
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile (CID 130090374) is 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile is Cc1ncc(CC#N)c(C(F)F)c1CCl.
What is the InChIKey of 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
The InChIKey is KAHOSFQVMAVGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2/c1-6-8(4-11)9(10(12)13)7(2-3-14)5-15-6/h5,10H,2,4H2,1H3.
What are the key properties of 2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile?
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-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-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130090374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).