4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine

C18H10F4N4O — CID 118871096

IUPAC4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3cc(F)nc(F)c3)ncc(-c3ccc(F)c(F)c3)c2c1N
InChIInChI=1S/C18H10F4N4O/c19-10-2-1-7(3-11(10)20)9-6-25-16(8-4-12(21)26-13(22)5-8)17-14(9)15(23)18(24)27-17/h1-6H,23-24H2
InChIKeyXYATWGKGDKBWAJ-UHFFFAOYSA-N
MW374.30 g/mol
LogP4.28
Rot. Bonds2

About 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine

4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 118871096) has the molecular formula C18H10F4N4O and a molecular weight of 374.30 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID118871096
Molecular FormulaC18H10F4N4O
Molecular Weight374.30 g/mol
Exact Mass374.08
IUPAC Name4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine
SMILESNc1oc2c(-c3cc(F)nc(F)c3)ncc(-c3ccc(F)c(F)c3)c2c1N
InChIInChI=1S/C18H10F4N4O/c19-10-2-1-7(3-11(10)20)9-6-25-16(8-4-12(21)26-13(22)5-8)17-14(9)15(23)18(24)27-17/h1-6H,23-24H2
InChIKeyXYATWGKGDKBWAJ-UHFFFAOYSA-N
XLogP4.28
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine (CID 118871096) is 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine is Nc1oc2c(-c3cc(F)nc(F)c3)ncc(-c3ccc(F)c(F)c3)c2c1N.
What is the InChIKey of 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is XYATWGKGDKBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N4O/c19-10-2-1-7(3-11(10)20)9-6-25-16(8-4-12(21)26-13(22)5-8)17-14(9)15(23)18(24)27-17/h1-6H,23-24H2.
What are the key properties of 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine?
4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 374.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-7-(2,6-difluoro-4-pyridinyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 118871096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).