N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine

C14H11BrN2O — CID 103934299

IUPACN-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine
SMILESBrc1ccc(NCc2coc3ccccc23)cn1
InChIInChI=1S/C14H11BrN2O/c15-14-6-5-11(8-17-14)16-7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8-9,16H,7H2
InChIKeyVWZQDMCOHMLIIG-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.20
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine

N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine (PubChem CID 103934299) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine
PubChem CID103934299
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC NameN-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine
SMILESBrc1ccc(NCc2coc3ccccc23)cn1
InChIInChI=1S/C14H11BrN2O/c15-14-6-5-11(8-17-14)16-7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8-9,16H,7H2
InChIKeyVWZQDMCOHMLIIG-UHFFFAOYSA-N
XLogP4.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzofuran-3-ylmethyl)-4-bromo-3-nitroaniline
CID 80700535
N-(1-benzofuran-3-ylmethyl)quinolin-6-amine
CID 80700880
N-(1-benzofuran-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 80700752
N-(1-benzofuran-3-ylmethyl)-1-propan-2-ylpyrazol-4-amine
CID 80701571
4-N-(1-benzofuran-3-ylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 115265694
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
2-N-(1-benzofuran-3-ylmethyl)-4-fluorobenzene-1,2-diamine
CID 115124164
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-fluoroaniline
CID 107527339
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline
CID 80700341
3-(1-benzofuran-3-ylmethylamino)benzoic acid
CID 80701632
N-(1-benzofuran-3-ylmethyl)-2-bromo-5-methoxyaniline
CID 80703281

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine (CID 103934299) is N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine is Brc1ccc(NCc2coc3ccccc23)cn1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine?
The InChIKey is VWZQDMCOHMLIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-14-6-5-11(8-17-14)16-7-10-9-18-13-4-2-1-3-12(10)13/h1-6,8-9,16H,7H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine?
N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine has a molecular weight of 303.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-6-bromopyridin-3-amine is sourced from PubChem (CID 103934299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).