2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile

C8H5ClF2N2 — CID 130095597

IUPAC2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cncc1C(F)F
InChIInChI=1S/C8H5ClF2N2/c9-7-4-13-3-6(8(10)11)5(7)1-2-12/h3-4,8H,1H2
InChIKeyAATGUKJKIHXSGC-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.74
Rot. Bonds2

About 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile

2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 130095597) has the molecular formula C8H5ClF2N2 and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID130095597
Molecular FormulaC8H5ClF2N2
Molecular Weight202.59 g/mol
Exact Mass202.01
IUPAC Name2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cncc1C(F)F
InChIInChI=1S/C8H5ClF2N2/c9-7-4-13-3-6(8(10)11)5(7)1-2-12/h3-4,8H,1H2
InChIKeyAATGUKJKIHXSGC-UHFFFAOYSA-N
XLogP2.74
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
CID 130095511
2-(3-chloro-5-hydroxy-4-pyridinyl)acetonitrile
CID 131117865
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[3-chloro-4-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075523
2-[3-chloro-5-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131869874
2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070216
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119020158
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
CID 130096727
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130095910
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile (CID 130095597) is 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1c(Cl)cncc1C(F)F.
What is the InChIKey of 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is AATGUKJKIHXSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2/c9-7-4-13-3-6(8(10)11)5(7)1-2-12/h3-4,8H,1H2.
What are the key properties of 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile?
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 202.59 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130095597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).