2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile

C16H12BrN3O2 — CID 122252310

IUPAC2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C16H12BrN3O2/c17-13-3-1-12(2-4-13)16(21)20-9-14(10-20)22-15-7-11(8-18)5-6-19-15/h1-7,14H,9-10H2
InChIKeyOJXSXVVWHVSLDS-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile

2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252310) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252310
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3ccc(Br)cc3)C2)c1
InChIInChI=1S/C16H12BrN3O2/c17-13-3-1-12(2-4-13)16(21)20-9-14(10-20)22-15-7-11(8-18)5-6-19-15/h1-7,14H,9-10H2
InChIKeyOJXSXVVWHVSLDS-UHFFFAOYSA-N
XLogP2.62
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
2-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252515
2-[1-(4-chloro-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252326
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252323
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
2-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252429
2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252403
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252525
2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252219
2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252500

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252310) is 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)c3ccc(Br)cc3)C2)c1.
What is the InChIKey of 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is OJXSXVVWHVSLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-13-3-1-12(2-4-13)16(21)20-9-14(10-20)22-15-7-11(8-18)5-6-19-15/h1-7,14H,9-10H2.
What are the key properties of 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 358.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).