3-bromo-2-phenylmethoxypyridin-4-amine

C12H11BrN2O — CID 127263630

IUPAC3-bromo-2-phenylmethoxypyridin-4-amine
SMILESNc1ccnc(OCc2ccccc2)c1Br
InChIInChI=1S/C12H11BrN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyQNOPCSZTFWBLQV-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.01
Rot. Bonds3

About 3-bromo-2-phenylmethoxypyridin-4-amine

3-bromo-2-phenylmethoxypyridin-4-amine (PubChem CID 127263630) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-bromo-2-phenylmethoxypyridin-4-amine.

Molecular Properties

Compound Name3-bromo-2-phenylmethoxypyridin-4-amine
PubChem CID127263630
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name3-bromo-2-phenylmethoxypyridin-4-amine
SMILESNc1ccnc(OCc2ccccc2)c1Br
InChIInChI=1S/C12H11BrN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeyQNOPCSZTFWBLQV-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenylmethoxypyridin-4-amine?
The IUPAC name of 3-bromo-2-phenylmethoxypyridin-4-amine (CID 127263630) is 3-bromo-2-phenylmethoxypyridin-4-amine.
What is the SMILES notation for 3-bromo-2-phenylmethoxypyridin-4-amine?
The canonical SMILES for 3-bromo-2-phenylmethoxypyridin-4-amine is Nc1ccnc(OCc2ccccc2)c1Br.
What is the InChIKey of 3-bromo-2-phenylmethoxypyridin-4-amine?
The InChIKey is QNOPCSZTFWBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-11-10(14)6-7-15-12(11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 3-bromo-2-phenylmethoxypyridin-4-amine?
3-bromo-2-phenylmethoxypyridin-4-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-bromo-2-phenylmethoxypyridin-4-amine is sourced from PubChem (CID 127263630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).