3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine

C13H7ClF3N5 — CID 2727066

IUPAC3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1-c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H7ClF3N5/c14-8-1-3-9(4-2-8)22-12(19-20-21-22)10-7-18-6-5-11(10)13(15,16)17/h1-7H
InChIKeyLWJNOMFPQQBECQ-UHFFFAOYSA-N
MW325.68 g/mol
LogP3.40
Rot. Bonds2

About 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine

3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine (PubChem CID 2727066) has the molecular formula C13H7ClF3N5 and a molecular weight of 325.68 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine
PubChem CID2727066
Molecular FormulaC13H7ClF3N5
Molecular Weight325.68 g/mol
Exact Mass325.03
IUPAC Name3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccncc1-c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H7ClF3N5/c14-8-1-3-9(4-2-8)22-12(19-20-21-22)10-7-18-6-5-11(10)13(15,16)17/h1-7H
InChIKeyLWJNOMFPQQBECQ-UHFFFAOYSA-N
XLogP3.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine (CID 2727066) is 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccncc1-c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
The InChIKey is LWJNOMFPQQBECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N5/c14-8-1-3-9(4-2-8)22-12(19-20-21-22)10-7-18-6-5-11(10)13(15,16)17/h1-7H.
What are the key properties of 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine?
3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine has a molecular weight of 325.68 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)tetrazol-5-yl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 2727066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).