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

C16H11F2N3O2 — CID 122252403

IUPAC2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3ccc(F)cc3F)C2)c1
InChIInChI=1S/C16H11F2N3O2/c17-11-1-2-13(14(18)6-11)16(22)21-8-12(9-21)23-15-5-10(7-19)3-4-20-15/h1-6,12H,8-9H2
InChIKeyBBLSBPOOEFHARL-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.13
Rot. Bonds3

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

2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252403) has the molecular formula C16H11F2N3O2 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252403
Molecular FormulaC16H11F2N3O2
Molecular Weight315.28 g/mol
Exact Mass315.08
IUPAC Name2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3ccc(F)cc3F)C2)c1
InChIInChI=1S/C16H11F2N3O2/c17-11-1-2-13(14(18)6-11)16(22)21-8-12(9-21)23-15-5-10(7-19)3-4-20-15/h1-6,12H,8-9H2
InChIKeyBBLSBPOOEFHARL-UHFFFAOYSA-N
XLogP2.13
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2,4-difluorophenyl)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252535
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252525
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
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-(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-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252219
2-[1-(morpholine-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252598
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252604
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252403) is 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)c3ccc(F)cc3F)C2)c1.
What is the InChIKey of 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is BBLSBPOOEFHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2/c17-11-1-2-13(14(18)6-11)16(22)21-8-12(9-21)23-15-5-10(7-19)3-4-20-15/h1-6,12H,8-9H2.
What are the key properties of 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 315.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).