4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile

C8H4Cl2F2N2 — CID 130071207

IUPAC4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(CCl)c1Cl
InChIInChI=1S/C8H4Cl2F2N2/c9-1-4-3-14-7(8(11)12)5(2-13)6(4)10/h3,8H,1H2
InChIKeyRDRCMSLOGGIXAB-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.28
Rot. Bonds2

About 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile

4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130071207) has the molecular formula C8H4Cl2F2N2 and a molecular weight of 237.04 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130071207
Molecular FormulaC8H4Cl2F2N2
Molecular Weight237.04 g/mol
Exact Mass235.97
IUPAC Name4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(CCl)c1Cl
InChIInChI=1S/C8H4Cl2F2N2/c9-1-4-3-14-7(8(11)12)5(2-13)6(4)10/h3,8H,1H2
InChIKeyRDRCMSLOGGIXAB-UHFFFAOYSA-N
XLogP3.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.28
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

5-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106126
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079154
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile (CID 130071207) is 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)F)ncc(CCl)c1Cl.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is RDRCMSLOGGIXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F2N2/c9-1-4-3-14-7(8(11)12)5(2-13)6(4)10/h3,8H,1H2.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile?
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 237.04 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130071207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).