1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one

C13H8Cl2FN5O — CID 167936202

IUPAC1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one
SMILESO=c1n(Cc2ncc(Cl)cc2Cl)nnn1-c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2FN5O/c14-8-5-11(15)12(17-6-8)7-20-13(22)21(19-18-20)10-3-1-9(16)2-4-10/h1-6H,7H2
InChIKeyDGNYEMPNNQRRLI-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.32
Rot. Bonds3

About 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one

1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one (PubChem CID 167936202) has the molecular formula C13H8Cl2FN5O and a molecular weight of 340.15 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one
PubChem CID167936202
Molecular FormulaC13H8Cl2FN5O
Molecular Weight340.15 g/mol
Exact Mass339.01
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one
SMILESO=c1n(Cc2ncc(Cl)cc2Cl)nnn1-c1ccc(F)cc1
InChIInChI=1S/C13H8Cl2FN5O/c14-8-5-11(15)12(17-6-8)7-20-13(22)21(19-18-20)10-3-1-9(16)2-4-10/h1-6H,7H2
InChIKeyDGNYEMPNNQRRLI-UHFFFAOYSA-N
XLogP2.32
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one (CID 167936202) is 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one is O=c1n(Cc2ncc(Cl)cc2Cl)nnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one?
The InChIKey is DGNYEMPNNQRRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FN5O/c14-8-5-11(15)12(17-6-8)7-20-13(22)21(19-18-20)10-3-1-9(16)2-4-10/h1-6H,7H2.
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one?
1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one has a molecular weight of 340.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-pyridinyl)methyl]-4-(4-fluorophenyl)tetrazol-5-one is sourced from PubChem (CID 167936202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).