4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile

C6H2ClF2N3 — CID 70497379

IUPAC4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(F)c(N)c1Cl
InChIInChI=1S/C6H2ClF2N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12)
InChIKeyGQXQJVKBGMHOMF-UHFFFAOYSA-N
MW189.55 g/mol
LogP1.47
Rot. Bonds

About 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile

4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile (PubChem CID 70497379) has the molecular formula C6H2ClF2N3 and a molecular weight of 189.55 g/mol. Its IUPAC name is 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile
PubChem CID70497379
Molecular FormulaC6H2ClF2N3
Molecular Weight189.55 g/mol
Exact Mass188.99
IUPAC Name4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(F)c(N)c1Cl
InChIInChI=1S/C6H2ClF2N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12)
InChIKeyGQXQJVKBGMHOMF-UHFFFAOYSA-N
XLogP1.47
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.55
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile?
The IUPAC name of 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile (CID 70497379) is 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile?
The canonical SMILES for 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile is N#Cc1nc(F)c(F)c(N)c1Cl.
What is the InChIKey of 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile?
The InChIKey is GQXQJVKBGMHOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2N3/c7-3-2(1-10)12-6(9)4(8)5(3)11/h(H2,11,12).
What are the key properties of 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile?
4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile has a molecular weight of 189.55 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5,6-difluoropyridine-2-carbonitrile is sourced from PubChem (CID 70497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).