3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine

C19H11Cl3FN3O — CID 86580679

IUPAC3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H11Cl3FN3O/c20-10-5-9(6-11(21)7-10)16-18-13(3-4-25-16)17(19(24)27-18)26-12-1-2-15(23)14(22)8-12/h1-8,26H,24H2
InChIKeyCDIOTLFFDHTDCL-UHFFFAOYSA-N
MW422.67 g/mol
LogP6.92
Rot. Bonds3

About 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine

3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86580679) has the molecular formula C19H11Cl3FN3O and a molecular weight of 422.67 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID86580679
Molecular FormulaC19H11Cl3FN3O
Molecular Weight422.67 g/mol
Exact Mass421.00
IUPAC Name3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H11Cl3FN3O/c20-10-5-9(6-11(21)7-10)16-18-13(3-4-25-16)17(19(24)27-18)26-12-1-2-15(23)14(22)8-12/h1-8,26H,24H2
InChIKeyCDIOTLFFDHTDCL-UHFFFAOYSA-N
XLogP6.92
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.67
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine (CID 86580679) is 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2c(-c3cc(Cl)cc(Cl)c3)nccc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is CDIOTLFFDHTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3FN3O/c20-10-5-9(6-11(21)7-10)16-18-13(3-4-25-16)17(19(24)27-18)26-12-1-2-15(23)14(22)8-12/h1-8,26H,24H2.
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 422.67 g/mol, XLogP of 6.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-4-fluorophenyl)-7-(3,5-dichlorophenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86580679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).