5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine

C17H19ClN2O2 — CID 154963843

IUPAC5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
SMILESCc1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)nc1C
InChIInChI=1S/C17H19ClN2O2/c1-11-9-15(22-14-3-6-19-16(18)10-14)17(20-12(11)2)13-4-7-21-8-5-13/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyVYMZJNARUWVPHB-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.43
Rot. Bonds3

About 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine

5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine (PubChem CID 154963843) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
PubChem CID154963843
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
SMILESCc1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)nc1C
InChIInChI=1S/C17H19ClN2O2/c1-11-9-15(22-14-3-6-19-16(18)10-14)17(20-12(11)2)13-4-7-21-8-5-13/h3,6,9-10,13H,4-5,7-8H2,1-2H3
InChIKeyVYMZJNARUWVPHB-UHFFFAOYSA-N
XLogP4.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
CID 121249435
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
CID 164715787
2-chloro-4-[3-cyclopropyl-1-(2,2-difluoroethyl)pyrazol-4-yl]oxypyridine
CID 121249468
2-chloro-4-methylpyridine;2-(oxan-4-yl)-3-piperidin-4-yloxypyrazine;hydrochloride
CID 158747861
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
CID 155765634
5-[(2-chloro-4-pyridinyl)oxy]-6-cyclopropyl-2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 123641540
2-chloro-4-[1-cyclopropyl-3-(3,3-difluorocyclobutyl)pyrazol-4-yl]oxypyridine
CID 150825451
6-chloro-1-methyl-4-(oxan-4-yl)imidazo[4,5-c]pyridine
CID 163273561
5-[(2-chloro-4-pyridinyl)oxy]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288229
methyl 3-[(2-chloro-4-pyridinyl)oxy]-6-methylpyridine-2-carboxylate
CID 72942082
4-(5-bromo-2,3-difluorophenoxy)-2-chloropyridine
CID 107098123

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine (CID 154963843) is 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine is Cc1cc(Oc2ccnc(Cl)c2)c(C2CCOCC2)nc1C.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
The InChIKey is VYMZJNARUWVPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-9-15(22-14-3-6-19-16(18)10-14)17(20-12(11)2)13-4-7-21-8-5-13/h3,6,9-10,13H,4-5,7-8H2,1-2H3.
What are the key properties of 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine?
5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine has a molecular weight of 318.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine is sourced from PubChem (CID 154963843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).