(5-bromo-2-methoxy-3-pyridinyl)methanamine

C7H9BrN2O — CID 62292462

IUPAC(5-bromo-2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncc(Br)cc1CN
InChIInChI=1S/C7H9BrN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3,9H2,1H3
InChIKeyPKFXUPJXWBPWJR-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.31
Rot. Bonds2

About (5-bromo-2-methoxy-3-pyridinyl)methanamine

(5-bromo-2-methoxy-3-pyridinyl)methanamine (PubChem CID 62292462) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is (5-bromo-2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-3-pyridinyl)methanamine
PubChem CID62292462
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name(5-bromo-2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncc(Br)cc1CN
InChIInChI=1S/C7H9BrN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3,9H2,1H3
InChIKeyPKFXUPJXWBPWJR-UHFFFAOYSA-N
XLogP1.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of (5-bromo-2-methoxy-3-pyridinyl)methanamine (CID 62292462) is (5-bromo-2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxy-3-pyridinyl)methanamine is COc1ncc(Br)cc1CN.
What is the InChIKey of (5-bromo-2-methoxy-3-pyridinyl)methanamine?
The InChIKey is PKFXUPJXWBPWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3,9H2,1H3.
What are the key properties of (5-bromo-2-methoxy-3-pyridinyl)methanamine?
(5-bromo-2-methoxy-3-pyridinyl)methanamine has a molecular weight of 217.07 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 62292462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).