3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile

C17H11ClFN7 — CID 159869358

IUPAC3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2cncc(F)c2)ccc1N.N#Cc1nc(Cl)ccc1N
InChIInChI=1S/C11H7FN4.C6H4ClN3/c12-8-3-7(5-15-6-8)10-2-1-9(14)11(4-13)16-10;7-6-2-1-4(9)5(3-8)10-6/h1-3,5-6H,14H2;1-2H,9H2
InChIKeyNSDGGUGQMPYCCB-UHFFFAOYSA-N
MW367.78 g/mol
LogP2.93
Rot. Bonds1

About 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile

3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile (PubChem CID 159869358) has the molecular formula C17H11ClFN7 and a molecular weight of 367.78 g/mol. Its IUPAC name is 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile
PubChem CID159869358
Molecular FormulaC17H11ClFN7
Molecular Weight367.78 g/mol
Exact Mass367.07
IUPAC Name3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2cncc(F)c2)ccc1N.N#Cc1nc(Cl)ccc1N
InChIInChI=1S/C11H7FN4.C6H4ClN3/c12-8-3-7(5-15-6-8)10-2-1-9(14)11(4-13)16-10;7-6-2-1-4(9)5(3-8)10-6/h1-3,5-6H,14H2;1-2H,9H2
InChIKeyNSDGGUGQMPYCCB-UHFFFAOYSA-N
XLogP2.93
TPSA138.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile (CID 159869358) is 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile is N#Cc1nc(-c2cncc(F)c2)ccc1N.N#Cc1nc(Cl)ccc1N.
What is the InChIKey of 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is NSDGGUGQMPYCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4.C6H4ClN3/c12-8-3-7(5-15-6-8)10-2-1-9(14)11(4-13)16-10;7-6-2-1-4(9)5(3-8)10-6/h1-3,5-6H,14H2;1-2H,9H2.
What are the key properties of 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile?
3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 367.78 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloropyridine-2-carbonitrile;3-amino-6-(5-fluoro-3-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 159869358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).