3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine

C14H12FN3O — CID 86582012

IUPAC3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCc1cc(Nc2c(N)oc3cnccc23)ccc1F
InChIInChI=1S/C14H12FN3O/c1-8-6-9(2-3-11(8)15)18-13-10-4-5-17-7-12(10)19-14(13)16/h2-7,18H,16H2,1H3
InChIKeyOKKLUWVCQGWPNG-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.60
Rot. Bonds2

About 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine

3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86582012) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID86582012
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCc1cc(Nc2c(N)oc3cnccc23)ccc1F
InChIInChI=1S/C14H12FN3O/c1-8-6-9(2-3-11(8)15)18-13-10-4-5-17-7-12(10)19-14(13)16/h2-7,18H,16H2,1H3
InChIKeyOKKLUWVCQGWPNG-UHFFFAOYSA-N
XLogP3.60
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine (CID 86582012) is 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine is Cc1cc(Nc2c(N)oc3cnccc23)ccc1F.
What is the InChIKey of 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is OKKLUWVCQGWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-8-6-9(2-3-11(8)15)18-13-10-4-5-17-7-12(10)19-14(13)16/h2-7,18H,16H2,1H3.
What are the key properties of 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 257.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluoro-3-methylphenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).