(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine

C14H10Cl2N2O — CID 43149779

IUPAC(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
SMILESNC(c1ccccn1)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C14H10Cl2N2O/c15-9-5-8-6-12(19-14(8)10(16)7-9)13(17)11-3-1-2-4-18-11/h1-7,13H,17H2
InChIKeyOUOYUEWMZJTLGQ-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.18
Rot. Bonds2

About (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine

(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine (PubChem CID 43149779) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
PubChem CID43149779
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
SMILESNC(c1ccccn1)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C14H10Cl2N2O/c15-9-5-8-6-12(19-14(8)10(16)7-9)13(17)11-3-1-2-4-18-11/h1-7,13H,17H2
InChIKeyOUOYUEWMZJTLGQ-UHFFFAOYSA-N
XLogP4.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
The IUPAC name of (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine (CID 43149779) is (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine.
What is the SMILES notation for (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
The canonical SMILES for (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine is NC(c1ccccn1)c1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
The InChIKey is OUOYUEWMZJTLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-9-5-8-6-12(19-14(8)10(16)7-9)13(17)11-3-1-2-4-18-11/h1-7,13H,17H2.
What are the key properties of (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine?
(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine has a molecular weight of 293.15 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine is sourced from PubChem (CID 43149779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).