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

C14H12BrN3O — CID 86582008

IUPAC3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCc1ccc(Nc2c(N)oc3cnccc23)cc1Br
InChIInChI=1S/C14H12BrN3O/c1-8-2-3-9(6-11(8)15)18-13-10-4-5-17-7-12(10)19-14(13)16/h2-7,18H,16H2,1H3
InChIKeyIZWPLSJHJACDNP-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds2

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

3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86582008) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID86582008
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCc1ccc(Nc2c(N)oc3cnccc23)cc1Br
InChIInChI=1S/C14H12BrN3O/c1-8-2-3-9(6-11(8)15)18-13-10-4-5-17-7-12(10)19-14(13)16/h2-7,18H,16H2,1H3
InChIKeyIZWPLSJHJACDNP-UHFFFAOYSA-N
XLogP4.22
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine (CID 86582008) is 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine is Cc1ccc(Nc2c(N)oc3cnccc23)cc1Br.
What is the InChIKey of 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is IZWPLSJHJACDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-8-2-3-9(6-11(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-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 318.17 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromo-4-methylphenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).