(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine

C14H11ClN2O — CID 175226604

IUPAC(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine
SMILESNCc1coc2c(Cl)cc(-c3ccccn3)cc12
InChIInChI=1S/C14H11ClN2O/c15-12-6-9(13-3-1-2-4-17-13)5-11-10(7-16)8-18-14(11)12/h1-6,8H,7,16H2
InChIKeyJWWLSYYXXZDQTG-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.61
Rot. Bonds2

About (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine

(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine (PubChem CID 175226604) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine
PubChem CID175226604
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine
SMILESNCc1coc2c(Cl)cc(-c3ccccn3)cc12
InChIInChI=1S/C14H11ClN2O/c15-12-6-9(13-3-1-2-4-17-13)5-11-10(7-16)8-18-14(11)12/h1-6,8H,7,16H2
InChIKeyJWWLSYYXXZDQTG-UHFFFAOYSA-N
XLogP3.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-6-pyridin-2-ylchromen-4-one
CID 139649560
2,6-dichloro-4-pyridin-2-ylbenzaldehyde
CID 135290721
2-(3-chloro-4-fluorophenyl)pyridine
CID 11644141
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
7-chloro-3-methyl-5-phenyl-1-benzofuran
CID 114722792
(4-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 83697190
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
(3-pyridin-2-ylindolizin-2-yl)methanamine
CID 118573265
2-(3-bromo-4-chlorophenyl)pyridine
CID 122381935
hydrazine;2-phenylpyridine
CID 158673997
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461

Frequently Asked Questions

What is the IUPAC name of (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine (CID 175226604) is (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine is NCc1coc2c(Cl)cc(-c3ccccn3)cc12.
What is the InChIKey of (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine?
The InChIKey is JWWLSYYXXZDQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-6-9(13-3-1-2-4-17-13)5-11-10(7-16)8-18-14(11)12/h1-6,8H,7,16H2.
What are the key properties of (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine?
(7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine has a molecular weight of 258.71 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-pyridin-2-yl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 175226604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).