3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine

C13H9ClFN3O — CID 86581711

IUPAC3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine
SMILESNc1oc2cccnc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O/c14-8-6-7(3-4-9(8)15)18-12-11-10(19-13(12)16)2-1-5-17-11/h1-6,18H,16H2
InChIKeyFNQXGNYQKBTXMM-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.95
Rot. Bonds2

About 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine

3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine (PubChem CID 86581711) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine
PubChem CID86581711
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine
SMILESNc1oc2cccnc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClFN3O/c14-8-6-7(3-4-9(8)15)18-12-11-10(19-13(12)16)2-1-5-17-11/h1-6,18H,16H2
InChIKeyFNQXGNYQKBTXMM-UHFFFAOYSA-N
XLogP3.95
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.95
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)furo[3,2-b]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine (CID 86581711) is 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine is Nc1oc2cccnc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine?
The InChIKey is FNQXGNYQKBTXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-8-6-7(3-4-9(8)15)18-12-11-10(19-13(12)16)2-1-5-17-11/h1-6,18H,16H2.
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine?
3-N-(3-chloro-4-fluorophenyl)furo[3,2-b]pyridine-2,3-diamine has a molecular weight of 277.69 g/mol, XLogP of 3.95, 2 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)furo[3,2-b]pyridine-2,3-diamine is sourced from PubChem (CID 86581711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).