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

C14H13BrN2O2 — CID 113398222

IUPAC(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ncccc2Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-2-6-19-11-7-10(8-16-9-11)14(18)13-12(15)4-3-5-17-13/h3-5,7-9H,2,6H2,1H3
InChIKeyHAQPSVIWIVHKCQ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.26
Rot. Bonds5

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

(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 113398222) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID113398222
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2ncccc2Br)c1
InChIInChI=1S/C14H13BrN2O2/c1-2-6-19-11-7-10(8-16-9-11)14(18)13-12(15)4-3-5-17-13/h3-5,7-9H,2,6H2,1H3
InChIKeyHAQPSVIWIVHKCQ-UHFFFAOYSA-N
XLogP3.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794141
(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanone
CID 115794025
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone (CID 113398222) is (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2ncccc2Br)c1.
What is the InChIKey of (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is HAQPSVIWIVHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-2-6-19-11-7-10(8-16-9-11)14(18)13-12(15)4-3-5-17-13/h3-5,7-9H,2,6H2,1H3.
What are the key properties of (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone?
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 321.17 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 113398222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).