(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine

C13H12ClN3O — CID 56712903

IUPAC(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESNCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1
InChIInChI=1S/C13H12ClN3O/c14-11-5-8(12-7-16-1-2-17-12)3-9-4-10(6-15)18-13(9)11/h1-3,5,7,10H,4,6,15H2
InChIKeyBSBVEQUPFSMXDS-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.06
Rot. Bonds2

About (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine

(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 56712903) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
PubChem CID56712903
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
SMILESNCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1
InChIInChI=1S/C13H12ClN3O/c14-11-5-8(12-7-16-1-2-17-12)3-9-4-10(6-15)18-13(9)11/h1-3,5,7,10H,4,6,15H2
InChIKeyBSBVEQUPFSMXDS-UHFFFAOYSA-N
XLogP2.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 56712903) is (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine is NCC1Cc2cc(-c3cnccn3)cc(Cl)c2O1.
What is the InChIKey of (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
The InChIKey is BSBVEQUPFSMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-5-8(12-7-16-1-2-17-12)3-9-4-10(6-15)18-13(9)11/h1-3,5,7,10H,4,6,15H2.
What are the key properties of (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine?
(7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 261.71 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 56712903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).