2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine

C15H16ClNO — CID 62471218

IUPAC2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
SMILESCc1cc(C)c(C)c(OCc2cccnc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-10-7-11(2)12(3)14(8-10)18-9-13-5-4-6-17-15(13)16/h4-8H,9H2,1-3H3
InChIKeyNCBJJQYWZMIZDC-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine

2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine (PubChem CID 62471218) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
PubChem CID62471218
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine
SMILESCc1cc(C)c(C)c(OCc2cccnc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-10-7-11(2)12(3)14(8-10)18-9-13-5-4-6-17-15(13)16/h4-8H,9H2,1-3H3
InChIKeyNCBJJQYWZMIZDC-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3,5-trimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894235
2-chloro-3-[(3,4-dimethylphenoxy)methyl]pyridine
CID 62471198
N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 62485666
3-(bromomethyl)-2-(2,3,5-trimethylphenoxy)pyridine
CID 114057025
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 107169110
4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
1-[2-[(2-chloro-3-pyridinyl)methoxy]phenyl]-N-methylmethanamine
CID 106484619
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
CID 62470687
2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
CID 79764739
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine (CID 62471218) is 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine is Cc1cc(C)c(C)c(OCc2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine?
The InChIKey is NCBJJQYWZMIZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-7-11(2)12(3)14(8-10)18-9-13-5-4-6-17-15(13)16/h4-8H,9H2,1-3H3.
What are the key properties of 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine?
2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine has a molecular weight of 261.75 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2,3,5-trimethylphenoxy)methyl]pyridine is sourced from PubChem (CID 62471218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).