6-chloro-4-(difluoromethyl)-1,2-dihydropyridine

C6H6ClF2N — CID 173057297

IUPAC6-chloro-4-(difluoromethyl)-1,2-dihydropyridine
SMILESFC(F)C1=CCNC(Cl)=C1
InChIInChI=1S/C6H6ClF2N/c7-5-3-4(6(8)9)1-2-10-5/h1,3,6,10H,2H2
InChIKeyNSVLZRJHKAMATM-UHFFFAOYSA-N
MW165.57 g/mol
LogP1.86
Rot. Bonds1

About 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine

6-chloro-4-(difluoromethyl)-1,2-dihydropyridine (PubChem CID 173057297) has the molecular formula C6H6ClF2N and a molecular weight of 165.57 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-1,2-dihydropyridine
PubChem CID173057297
Molecular FormulaC6H6ClF2N
Molecular Weight165.57 g/mol
Exact Mass165.02
IUPAC Name6-chloro-4-(difluoromethyl)-1,2-dihydropyridine
SMILESFC(F)C1=CCNC(Cl)=C1
InChIInChI=1S/C6H6ClF2N/c7-5-3-4(6(8)9)1-2-10-5/h1,3,6,10H,2H2
InChIKeyNSVLZRJHKAMATM-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.57
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine (CID 173057297) is 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine is FC(F)C1=CCNC(Cl)=C1.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine?
The InChIKey is NSVLZRJHKAMATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N/c7-5-3-4(6(8)9)1-2-10-5/h1,3,6,10H,2H2.
What are the key properties of 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine?
6-chloro-4-(difluoromethyl)-1,2-dihydropyridine has a molecular weight of 165.57 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 173057297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).