(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone

C15H15BrN2O2 — CID 82703850

IUPAC(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cc(Br)ccc2N)c1
InChIInChI=1S/C15H15BrN2O2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5,17H2,1H3
InChIKeyVXWMZROYQJUDRJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.45
Rot. Bonds5

About (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone

(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 82703850) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID82703850
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cc(Br)ccc2N)c1
InChIInChI=1S/C15H15BrN2O2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5,17H2,1H3
InChIKeyVXWMZROYQJUDRJ-UHFFFAOYSA-N
XLogP3.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone (CID 82703850) is (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2cc(Br)ccc2N)c1.
What is the InChIKey of (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is VXWMZROYQJUDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5,17H2,1H3.
What are the key properties of (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone?
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 82703850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).