6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile

C14H10Cl2FN3O — CID 21111337

IUPAC6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1cc(C#N)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl2FN3O/c1-7(12-9(15)2-3-10(17)13(12)16)21-11-4-8(5-18)6-20-14(11)19/h2-4,6-7H,1H3,(H2,19,20)
InChIKeyVIGFRDNZWPHYHT-UHFFFAOYSA-N
MW326.16 g/mol
LogP4.12
Rot. Bonds3

About 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile

6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile (PubChem CID 21111337) has the molecular formula C14H10Cl2FN3O and a molecular weight of 326.16 g/mol. Its IUPAC name is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile
PubChem CID21111337
Molecular FormulaC14H10Cl2FN3O
Molecular Weight326.16 g/mol
Exact Mass325.02
IUPAC Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1cc(C#N)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H10Cl2FN3O/c1-7(12-9(15)2-3-10(17)13(12)16)21-11-4-8(5-18)6-20-14(11)19/h2-4,6-7H,1H3,(H2,19,20)
InChIKeyVIGFRDNZWPHYHT-UHFFFAOYSA-N
XLogP4.12
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile (CID 21111337) is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile is CC(Oc1cc(C#N)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile?
The InChIKey is VIGFRDNZWPHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O/c1-7(12-9(15)2-3-10(17)13(12)16)21-11-4-8(5-18)6-20-14(11)19/h2-4,6-7H,1H3,(H2,19,20).
What are the key properties of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile?
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile has a molecular weight of 326.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 21111337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).