6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine

C19H15BrN2O — CID 177366777

IUPAC6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine
SMILESCc1cc(C(C)Br)c2oc3c(-c4cccnc4)ccnc3c2c1
InChIInChI=1S/C19H15BrN2O/c1-11-8-15(12(2)20)18-16(9-11)17-19(23-18)14(5-7-22-17)13-4-3-6-21-10-13/h3-10,12H,1-2H3
InChIKeyGRERCKURHZMHEY-UHFFFAOYSA-N
MW367.25 g/mol
LogP5.81
Rot. Bonds2

About 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine

6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 177366777) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID177366777
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine
SMILESCc1cc(C(C)Br)c2oc3c(-c4cccnc4)ccnc3c2c1
InChIInChI=1S/C19H15BrN2O/c1-11-8-15(12(2)20)18-16(9-11)17-19(23-18)14(5-7-22-17)13-4-3-6-21-10-13/h3-10,12H,1-2H3
InChIKeyGRERCKURHZMHEY-UHFFFAOYSA-N
XLogP5.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.25
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;4-fluoro-N-[1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-methylsulfanylaniline
CID 177366674
methyl 6-chloro-3-[1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethylamino]pyridine-2-carboxylate
CID 177366659
6-chloro-N-[(1R)-1-(8-methyl-4-phenyl-[1]benzofuro[3,2-b]pyridin-6-yl)ethyl]-2-(2H-tetrazol-5-yl)pyridin-3-amine
CID 177366931
2-[[(1R)-1-[8-methyl-4-(2-methyl-1,3-thiazol-5-yl)-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]amino]benzoic acid
CID 177366782
8-[1-[2-(hydroxymethyl)anilino]ethyl]-3,6-dimethyl-2-pyridin-3-ylchromen-4-one
CID 174209844
(Z)-3-amino-N-[1-(3,6-dimethyl-4-oxo-2-pyridin-3-ylchromen-8-yl)ethyl]but-2-enethioamide
CID 169268993
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610202
4-[2,5-bis(8-pyridin-3-yl-[1]benzofuro[3,2-b]pyridin-4-yl)phenyl]-6-phenyl-[1]benzofuro[3,2-b]pyridine
CID 163923291
4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
CID 89458114
2-[[(1R)-1-[4-(3,6-dihydro-2H-pyran-4-yl)-8-methyl-[1]benzofuro[3,2-b]pyridin-6-yl]ethyl]amino]benzoic acid
CID 177366934
3,6-dimethyl-2-pyridin-3-yl-8-[1-[2-(1,2-thiazol-5-yl)anilino]ethyl]chromen-4-one
CID 169268922
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine (CID 177366777) is 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine is Cc1cc(C(C)Br)c2oc3c(-c4cccnc4)ccnc3c2c1.
What is the InChIKey of 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GRERCKURHZMHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c1-11-8-15(12(2)20)18-16(9-11)17-19(23-18)14(5-7-22-17)13-4-3-6-21-10-13/h3-10,12H,1-2H3.
What are the key properties of 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine?
6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 367.25 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromoethyl)-8-methyl-4-pyridin-3-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 177366777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).