2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile

C7H2Cl2F2N2 — CID 130099195

IUPAC2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(Cl)c1C(F)F
InChIInChI=1S/C7H2Cl2F2N2/c8-4-2-13-6(9)5(7(10)11)3(4)1-12/h2,7H
InChIKeyXKRVNHJUWACUGV-UHFFFAOYSA-N
MW223.01 g/mol
LogP3.20
Rot. Bonds1

About 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile

2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130099195) has the molecular formula C7H2Cl2F2N2 and a molecular weight of 223.01 g/mol. Its IUPAC name is 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130099195
Molecular FormulaC7H2Cl2F2N2
Molecular Weight223.01 g/mol
Exact Mass221.96
IUPAC Name2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(Cl)c1C(F)F
InChIInChI=1S/C7H2Cl2F2N2/c8-4-2-13-6(9)5(7(10)11)3(4)1-12/h2,7H
InChIKeyXKRVNHJUWACUGV-UHFFFAOYSA-N
XLogP3.20
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134674119
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130070958
2-[5-chloro-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071413
2-chloro-5-cyano-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130071437
3,5-dichloro-2-fluoropyridine-4-carbonitrile
CID 66926931
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
2-[4-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075171
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile (CID 130099195) is 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1c(Cl)cnc(Cl)c1C(F)F.
What is the InChIKey of 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is XKRVNHJUWACUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2N2/c8-4-2-13-6(9)5(7(10)11)3(4)1-12/h2,7H.
What are the key properties of 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile?
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 223.01 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130099195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).