5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine

C11H11BrN2O — CID 115770598

IUPAC5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
SMILESCc1ccoc1CNc1cncc(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-8-2-3-15-11(8)7-14-10-4-9(12)5-13-6-10/h2-6,14H,7H2,1H3
InChIKeyKLBKSFRRSFVLNQ-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.36
Rot. Bonds3

About 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine

5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine (PubChem CID 115770598) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
PubChem CID115770598
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine
SMILESCc1ccoc1CNc1cncc(Br)c1
InChIInChI=1S/C11H11BrN2O/c1-8-2-3-15-11(8)7-14-10-4-9(12)5-13-6-10/h2-6,14H,7H2,1H3
InChIKeyKLBKSFRRSFVLNQ-UHFFFAOYSA-N
XLogP3.36
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine (CID 115770598) is 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine is Cc1ccoc1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is KLBKSFRRSFVLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-8-2-3-15-11(8)7-14-10-4-9(12)5-13-6-10/h2-6,14H,7H2,1H3.
What are the key properties of 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine?
5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 267.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methylfuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 115770598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).