2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine

C15H16ClNO2 — CID 137421499

IUPAC2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
SMILESCC(C)Oc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-11(2)19-13-6-7-15(14(16)9-13)18-10-12-5-3-4-8-17-12/h3-9,11H,10H2,1-2H3
InChIKeyWJAADDQQQYSYME-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.10
Rot. Bonds5

About 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine

2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine (PubChem CID 137421499) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
PubChem CID137421499
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine
SMILESCC(C)Oc1ccc(OCc2ccccn2)c(Cl)c1
InChIInChI=1S/C15H16ClNO2/c1-11(2)19-13-6-7-15(14(16)9-13)18-10-12-5-3-4-8-17-12/h3-9,11H,10H2,1-2H3
InChIKeyWJAADDQQQYSYME-UHFFFAOYSA-N
XLogP4.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,N-dimethyl-4-(pyridin-2-ylmethoxy)aniline
CID 130196962
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
2-[(2-chloro-4-isothiocyanatophenoxy)methyl]pyridine
CID 141429916
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
CID 86857583
1-[5-chloro-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 55031302
3-chloro-4-propan-2-yloxy-N-(pyridin-2-ylmethyl)benzamide
CID 110762427
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
CID 52783528

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine?
The IUPAC name of 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine (CID 137421499) is 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine.
What is the SMILES notation for 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine?
The canonical SMILES for 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine is CC(C)Oc1ccc(OCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine?
The InChIKey is WJAADDQQQYSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-11(2)19-13-6-7-15(14(16)9-13)18-10-12-5-3-4-8-17-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine?
2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine has a molecular weight of 277.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-propan-2-yloxyphenoxy)methyl]pyridine is sourced from PubChem (CID 137421499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).