(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone

C15H13BrClNO2 — CID 107996584

IUPAC(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-4-3-11(17)7-14(13)16/h3-4,6-9H,2,5H2,1H3
InChIKeySIMZKNPXXZRDGM-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.52
Rot. Bonds5

About (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone

(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 107996584) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID107996584
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-4-3-11(17)7-14(13)16/h3-4,6-9H,2,5H2,1H3
InChIKeySIMZKNPXXZRDGM-UHFFFAOYSA-N
XLogP4.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
propyl 2-bromo-4-chlorobenzoate
CID 103766992

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone (CID 107996584) is (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ccc(Cl)cc2Br)c1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is SIMZKNPXXZRDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-4-3-11(17)7-14(13)16/h3-4,6-9H,2,5H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone?
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 354.63 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 107996584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).