4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one

C14H12FN5O2 — CID 137250663

IUPAC4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one
SMILESCc1ccccc1OCc1c(F)cncc1-n1nn[nH]c1=O
InChIInChI=1S/C14H12FN5O2/c1-9-4-2-3-5-13(9)22-8-10-11(15)6-16-7-12(10)20-14(21)17-18-19-20/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyLXNLEKVJPYGTAF-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.38
Rot. Bonds4

About 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one

4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one (PubChem CID 137250663) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one
PubChem CID137250663
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one
SMILESCc1ccccc1OCc1c(F)cncc1-n1nn[nH]c1=O
InChIInChI=1S/C14H12FN5O2/c1-9-4-2-3-5-13(9)22-8-10-11(15)6-16-7-12(10)20-14(21)17-18-19-20/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyLXNLEKVJPYGTAF-UHFFFAOYSA-N
XLogP1.38
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-fluoro-4-[(2-methyl-4-tritiophenoxy)methyl]-3-pyridinyl]-4-methyltetrazol-5-one
CID 140740116
4-[6-iodo-5-[(2-methylphenoxy)methyl]triazin-4-yl]-1H-tetrazol-5-one
CID 137250727
4-[2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylphenyl]-1H-tetrazol-5-one
CID 137255181
4-[3-[(2-methylphenoxy)methyl]furan-2-yl]-1H-tetrazol-5-one
CID 137250671
4-[3-methyl-2-[(2-methyl-4-pyridin-2-ylphenoxy)methyl]phenyl]-1H-tetrazol-5-one
CID 137161518
4-[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-1H-tetrazol-5-one
CID 137003751
ethane;4-(2-methylphenyl)-1H-tetrazol-5-one
CID 145130008
4-[2-[(4-hydroxy-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-1H-tetrazol-5-one
CID 137255187
4-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]-1H-tetrazol-5-one
CID 144772941
4-[2-[(4-bromo-2-methylphenoxy)methyl]-3-cyclopropylphenyl]-1H-tetrazol-5-one
CID 144773136
4-[2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]oxymethyl]-3-methylphenyl]-1H-tetrazol-5-one
CID 146631770
4-(2-bromo-3-methylphenyl)-1H-tetrazol-5-one
CID 137053095

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one?
The IUPAC name of 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one (CID 137250663) is 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one.
What is the SMILES notation for 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one?
The canonical SMILES for 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one is Cc1ccccc1OCc1c(F)cncc1-n1nn[nH]c1=O.
What is the InChIKey of 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one?
The InChIKey is LXNLEKVJPYGTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-9-4-2-3-5-13(9)22-8-10-11(15)6-16-7-12(10)20-14(21)17-18-19-20/h2-7H,8H2,1H3,(H,17,19,21).
What are the key properties of 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one?
4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one has a molecular weight of 301.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-[(2-methylphenoxy)methyl]-3-pyridinyl]-1H-tetrazol-5-one is sourced from PubChem (CID 137250663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).