4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

C13H16ClFN6O2 — CID 155509505

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc(C2CN(c3ncc(Cl)cc3F)CCO2)n1
InChIInChI=1S/C13H16ClFN6O2/c1-22-4-3-21-18-12(17-19-21)11-8-20(2-5-23-11)13-10(15)6-9(14)7-16-13/h6-7,11H,2-5,8H2,1H3
InChIKeyWOOPMUNHZBVHFG-UHFFFAOYSA-N
MW342.76 g/mol
LogP1.08
Rot. Bonds5

About 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine

4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (PubChem CID 155509505) has the molecular formula C13H16ClFN6O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
PubChem CID155509505
Molecular FormulaC13H16ClFN6O2
Molecular Weight342.76 g/mol
Exact Mass342.10
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
SMILESCOCCn1nnc(C2CN(c3ncc(Cl)cc3F)CCO2)n1
InChIInChI=1S/C13H16ClFN6O2/c1-22-4-3-21-18-12(17-19-21)11-8-20(2-5-23-11)13-10(15)6-9(14)7-16-13/h6-7,11H,2-5,8H2,1H3
InChIKeyWOOPMUNHZBVHFG-UHFFFAOYSA-N
XLogP1.08
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine (CID 155509505) is 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is COCCn1nnc(C2CN(c3ncc(Cl)cc3F)CCO2)n1.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
The InChIKey is WOOPMUNHZBVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN6O2/c1-22-4-3-21-18-12(17-19-21)11-8-20(2-5-23-11)13-10(15)6-9(14)7-16-13/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine?
4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine has a molecular weight of 342.76 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 155509505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).