3-[(4-bromophenyl)methoxy]pyridin-2-amine

C12H11BrN2O — CID 1485764

IUPAC3-[(4-bromophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O/c13-10-5-3-9(4-6-10)8-16-11-2-1-7-15-12(11)14/h1-7H,8H2,(H2,14,15)
InChIKeyHNJBVHDXCIBNDV-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.01
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]pyridin-2-amine

3-[(4-bromophenyl)methoxy]pyridin-2-amine (PubChem CID 1485764) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]pyridin-2-amine
PubChem CID1485764
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-[(4-bromophenyl)methoxy]pyridin-2-amine
SMILESNc1ncccc1OCc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O/c13-10-5-3-9(4-6-10)8-16-11-2-1-7-15-12(11)14/h1-7H,8H2,(H2,14,15)
InChIKeyHNJBVHDXCIBNDV-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]pyridin-2-amine (CID 1485764) is 3-[(4-bromophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]pyridin-2-amine is Nc1ncccc1OCc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]pyridin-2-amine?
The InChIKey is HNJBVHDXCIBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-5-3-9(4-6-10)8-16-11-2-1-7-15-12(11)14/h1-7H,8H2,(H2,14,15).
What are the key properties of 3-[(4-bromophenyl)methoxy]pyridin-2-amine?
3-[(4-bromophenyl)methoxy]pyridin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 1485764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).