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

C14H11ClFN3O — CID 86582318

IUPAC3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine
SMILESCc1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
InChIInChI=1S/C14H11ClFN3O/c1-7-13-9(4-5-18-7)12(14(17)20-13)19-8-2-3-11(16)10(15)6-8/h2-6,19H,17H2,1H3
InChIKeySVQGRQWIDCAPGS-UHFFFAOYSA-N
MW291.71 g/mol
LogP4.25
Rot. Bonds2

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

3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine (PubChem CID 86582318) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine
PubChem CID86582318
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine
SMILESCc1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12
InChIInChI=1S/C14H11ClFN3O/c1-7-13-9(4-5-18-7)12(14(17)20-13)19-8-2-3-11(16)10(15)6-8/h2-6,19H,17H2,1H3
InChIKeySVQGRQWIDCAPGS-UHFFFAOYSA-N
XLogP4.25
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 54.25
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-methylfuro[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine (CID 86582318) is 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine is Cc1nccc2c(Nc3ccc(F)c(Cl)c3)c(N)oc12.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine?
The InChIKey is SVQGRQWIDCAPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c1-7-13-9(4-5-18-7)12(14(17)20-13)19-8-2-3-11(16)10(15)6-8/h2-6,19H,17H2,1H3.
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine?
3-N-(3-chloro-4-fluorophenyl)-7-methylfuro[2,3-c]pyridine-2,3-diamine has a molecular weight of 291.71 g/mol, XLogP of 4.25, 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)-7-methylfuro[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).