7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine

C16H10FN5O — CID 162507429

IUPAC7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(Oc2ncc(-c3ccn4cnnc4c3)cn2)cc1
InChIInChI=1S/C16H10FN5O/c17-13-1-3-14(4-2-13)23-16-18-8-12(9-19-16)11-5-6-22-10-20-21-15(22)7-11/h1-10H
InChIKeyQERIDZSUBMVXDR-UHFFFAOYSA-N
MW307.29 g/mol
LogP3.12
Rot. Bonds3

About 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine

7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162507429) has the molecular formula C16H10FN5O and a molecular weight of 307.29 g/mol. Its IUPAC name is 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162507429
Molecular FormulaC16H10FN5O
Molecular Weight307.29 g/mol
Exact Mass307.09
IUPAC Name7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1ccc(Oc2ncc(-c3ccn4cnnc4c3)cn2)cc1
InChIInChI=1S/C16H10FN5O/c17-13-1-3-14(4-2-13)23-16-18-8-12(9-19-16)11-5-6-22-10-20-21-15(22)7-11/h1-10H
InChIKeyQERIDZSUBMVXDR-UHFFFAOYSA-N
XLogP3.12
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 162507375
5-bromo-2-(4-fluorophenoxy)pyrimidine
CID 4270915
2-(4-fluorophenoxy)-5-iodopyrimidine
CID 104839781
5-(2,5-difluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 53173175
5-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-a]pyridine
CID 71480078
2,5-difluoro-3-(4-fluorophenoxy)pyridine
CID 145089176
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
2-(4-tert-butylphenoxy)-5-fluoropyrimidine
CID 69192673
1-methyl-5-(2-phenoxypyrimidin-5-yl)indole
CID 162507455
2-[3-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yloxy)-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 142429162
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 162507429) is 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1ccc(Oc2ncc(-c3ccn4cnnc4c3)cn2)cc1.
What is the InChIKey of 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QERIDZSUBMVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O/c17-13-1-3-14(4-2-13)23-16-18-8-12(9-19-16)11-5-6-22-10-20-21-15(22)7-11/h1-10H.
What are the key properties of 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine?
7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 307.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-fluorophenoxy)pyrimidin-5-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162507429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).