4-chloro-2,5-difluoropyridine

C5H2ClF2N — CID 11147812

IUPAC4-chloro-2,5-difluoropyridine
SMILESFc1cc(Cl)c(F)cn1
InChIInChI=1S/C5H2ClF2N/c6-3-1-5(8)9-2-4(3)7/h1-2H
InChIKeySWZRBNKRTCXHPT-UHFFFAOYSA-N
MW149.53 g/mol
LogP2.01
Rot. Bonds

About 4-chloro-2,5-difluoropyridine

4-chloro-2,5-difluoropyridine (PubChem CID 11147812) has the molecular formula C5H2ClF2N and a molecular weight of 149.53 g/mol. Its IUPAC name is 4-chloro-2,5-difluoropyridine.

Molecular Properties

Compound Name4-chloro-2,5-difluoropyridine
PubChem CID11147812
Molecular FormulaC5H2ClF2N
Molecular Weight149.53 g/mol
Exact Mass148.98
IUPAC Name4-chloro-2,5-difluoropyridine
SMILESFc1cc(Cl)c(F)cn1
InChIInChI=1S/C5H2ClF2N/c6-3-1-5(8)9-2-4(3)7/h1-2H
InChIKeySWZRBNKRTCXHPT-UHFFFAOYSA-N
XLogP2.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.53
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoropyridine?
The IUPAC name of 4-chloro-2,5-difluoropyridine (CID 11147812) is 4-chloro-2,5-difluoropyridine.
What is the SMILES notation for 4-chloro-2,5-difluoropyridine?
The canonical SMILES for 4-chloro-2,5-difluoropyridine is Fc1cc(Cl)c(F)cn1.
What is the InChIKey of 4-chloro-2,5-difluoropyridine?
The InChIKey is SWZRBNKRTCXHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF2N/c6-3-1-5(8)9-2-4(3)7/h1-2H.
What are the key properties of 4-chloro-2,5-difluoropyridine?
4-chloro-2,5-difluoropyridine has a molecular weight of 149.53 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoropyridine is sourced from PubChem (CID 11147812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).