6-amino-2-chloropyridine-3-carbonitrile

C6H4ClN3 — CID 22482841

IUPAC6-amino-2-chloropyridine-3-carbonitrile
SMILESN#Cc1ccc(N)nc1Cl
InChIInChI=1S/C6H4ClN3/c7-6-4(3-8)1-2-5(9)10-6/h1-2H,(H2,9,10)
InChIKeyDQTBPANHSUIJIF-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.19
Rot. Bonds

About 6-amino-2-chloropyridine-3-carbonitrile

6-amino-2-chloropyridine-3-carbonitrile (PubChem CID 22482841) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 6-amino-2-chloropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-chloropyridine-3-carbonitrile
PubChem CID22482841
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name6-amino-2-chloropyridine-3-carbonitrile
SMILESN#Cc1ccc(N)nc1Cl
InChIInChI=1S/C6H4ClN3/c7-6-4(3-8)1-2-5(9)10-6/h1-2H,(H2,9,10)
InChIKeyDQTBPANHSUIJIF-UHFFFAOYSA-N
XLogP1.19
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.19
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 6-amino-2-chloropyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-chloropyridine-3-carbonitrile (CID 22482841) is 6-amino-2-chloropyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-chloropyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-chloropyridine-3-carbonitrile is N#Cc1ccc(N)nc1Cl.
What is the InChIKey of 6-amino-2-chloropyridine-3-carbonitrile?
The InChIKey is DQTBPANHSUIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-6-4(3-8)1-2-5(9)10-6/h1-2H,(H2,9,10).
What are the key properties of 6-amino-2-chloropyridine-3-carbonitrile?
6-amino-2-chloropyridine-3-carbonitrile has a molecular weight of 153.57 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-chloropyridine-3-carbonitrile is sourced from PubChem (CID 22482841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).