3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile

C13H6ClFN6 — CID 11438054

IUPAC3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-n2nnc(-c3ccc(Cl)cn3)n2)c1
InChIInChI=1S/C13H6ClFN6/c14-9-1-2-12(17-7-9)13-18-20-21(19-13)11-4-8(6-16)3-10(15)5-11/h1-5,7H
InChIKeySAWSSPISYVVUPP-UHFFFAOYSA-N
MW300.68 g/mol
LogP2.39
Rot. Bonds2

About 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile

3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile (PubChem CID 11438054) has the molecular formula C13H6ClFN6 and a molecular weight of 300.68 g/mol. Its IUPAC name is 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile
PubChem CID11438054
Molecular FormulaC13H6ClFN6
Molecular Weight300.68 g/mol
Exact Mass300.03
IUPAC Name3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(-n2nnc(-c3ccc(Cl)cn3)n2)c1
InChIInChI=1S/C13H6ClFN6/c14-9-1-2-12(17-7-9)13-18-20-21(19-13)11-4-8(6-16)3-10(15)5-11/h1-5,7H
InChIKeySAWSSPISYVVUPP-UHFFFAOYSA-N
XLogP2.39
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.68
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile?
The IUPAC name of 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile (CID 11438054) is 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile is N#Cc1cc(F)cc(-n2nnc(-c3ccc(Cl)cn3)n2)c1.
What is the InChIKey of 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile?
The InChIKey is SAWSSPISYVVUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClFN6/c14-9-1-2-12(17-7-9)13-18-20-21(19-13)11-4-8(6-16)3-10(15)5-11/h1-5,7H.
What are the key properties of 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile?
3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile has a molecular weight of 300.68 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chloro-2-pyridinyl)tetrazol-2-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 11438054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).