5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine

C12H7ClFN5O — CID 118191570

IUPAC5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine
SMILESFc1cc(Cl)cnc1Oc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H7ClFN5O/c13-8-5-10(14)12(15-6-8)20-9-3-1-7(2-4-9)11-16-18-19-17-11/h1-6H,(H,16,17,18,19)
InChIKeyOFJQIZJDPLXMGG-UHFFFAOYSA-N
MW291.67 g/mol
LogP2.85
Rot. Bonds3

About 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine

5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine (PubChem CID 118191570) has the molecular formula C12H7ClFN5O and a molecular weight of 291.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine
PubChem CID118191570
Molecular FormulaC12H7ClFN5O
Molecular Weight291.67 g/mol
Exact Mass291.03
IUPAC Name5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine
SMILESFc1cc(Cl)cnc1Oc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C12H7ClFN5O/c13-8-5-10(14)12(15-6-8)20-9-3-1-7(2-4-9)11-16-18-19-17-11/h1-6H,(H,16,17,18,19)
InChIKeyOFJQIZJDPLXMGG-UHFFFAOYSA-N
XLogP2.85
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine (CID 118191570) is 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine is Fc1cc(Cl)cnc1Oc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine?
The InChIKey is OFJQIZJDPLXMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN5O/c13-8-5-10(14)12(15-6-8)20-9-3-1-7(2-4-9)11-16-18-19-17-11/h1-6H,(H,16,17,18,19).
What are the key properties of 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine?
5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine has a molecular weight of 291.67 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-[4-(2H-tetrazol-5-yl)phenoxy]pyridine is sourced from PubChem (CID 118191570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).