1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone

C14H9ClFN5O2 — CID 175585638

IUPAC1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C14H9ClFN5O2/c1-8(22)13-18-20-21(19-13)10-2-4-11(5-3-10)23-14-12(16)6-9(15)7-17-14/h2-7H,1H3
InChIKeyZIWZRRUMKOWTSW-UHFFFAOYSA-N
MW333.71 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone

1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone (PubChem CID 175585638) has the molecular formula C14H9ClFN5O2 and a molecular weight of 333.71 g/mol. Its IUPAC name is 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone
PubChem CID175585638
Molecular FormulaC14H9ClFN5O2
Molecular Weight333.71 g/mol
Exact Mass333.04
IUPAC Name1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone
SMILESCC(=O)c1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C14H9ClFN5O2/c1-8(22)13-18-20-21(19-13)10-2-4-11(5-3-10)23-14-12(16)6-9(15)7-17-14/h2-7H,1H3
InChIKeyZIWZRRUMKOWTSW-UHFFFAOYSA-N
XLogP2.84
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone?
The IUPAC name of 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone (CID 175585638) is 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone is CC(=O)c1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1.
What is the InChIKey of 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone?
The InChIKey is ZIWZRRUMKOWTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN5O2/c1-8(22)13-18-20-21(19-13)10-2-4-11(5-3-10)23-14-12(16)6-9(15)7-17-14/h2-7H,1H3.
What are the key properties of 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone?
1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone has a molecular weight of 333.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]ethanone is sourced from PubChem (CID 175585638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).