2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C13H13ClFN3O — CID 126954186

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESFc1cc(Cl)cnc1OCc1cn2c(n1)CCCC2
InChIInChI=1S/C13H13ClFN3O/c14-9-5-11(15)13(16-6-9)19-8-10-7-18-4-2-1-3-12(18)17-10/h5-7H,1-4,8H2
InChIKeyJWOKDIWGOGSVEO-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.99
Rot. Bonds3

About 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 126954186) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID126954186
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESFc1cc(Cl)cnc1OCc1cn2c(n1)CCCC2
InChIInChI=1S/C13H13ClFN3O/c14-9-5-11(15)13(16-6-9)19-8-10-7-18-4-2-1-3-12(18)17-10/h5-7H,1-4,8H2
InChIKeyJWOKDIWGOGSVEO-UHFFFAOYSA-N
XLogP2.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 126954186) is 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Fc1cc(Cl)cnc1OCc1cn2c(n1)CCCC2.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is JWOKDIWGOGSVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c14-9-5-11(15)13(16-6-9)19-8-10-7-18-4-2-1-3-12(18)17-10/h5-7H,1-4,8H2.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 281.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 126954186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).