3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine

C13H12ClN3O — CID 114262554

IUPAC3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2ccc3c(c2)COC3)c(Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-12-4-10(15)5-16-13(12)17-11-2-1-8-6-18-7-9(8)3-11/h1-5H,6-7,15H2,(H,16,17)
InChIKeyCESLQYYWCWTUTD-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.09
Rot. Bonds2

About 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine

3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine (PubChem CID 114262554) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
PubChem CID114262554
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine
SMILESNc1cnc(Nc2ccc3c(c2)COC3)c(Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-12-4-10(15)5-16-13(12)17-11-2-1-8-6-18-7-9(8)3-11/h1-5H,6-7,15H2,(H,16,17)
InChIKeyCESLQYYWCWTUTD-UHFFFAOYSA-N
XLogP3.09
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine?
The IUPAC name of 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine (CID 114262554) is 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine.
What is the SMILES notation for 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine?
The canonical SMILES for 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine is Nc1cnc(Nc2ccc3c(c2)COC3)c(Cl)c1.
What is the InChIKey of 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine?
The InChIKey is CESLQYYWCWTUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-12-4-10(15)5-16-13(12)17-11-2-1-8-6-18-7-9(8)3-11/h1-5H,6-7,15H2,(H,16,17).
What are the key properties of 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine?
3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine has a molecular weight of 261.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-N-(1,3-dihydro-2-benzofuran-5-yl)pyridine-2,5-diamine is sourced from PubChem (CID 114262554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).