2-chloro-5-(3,4-dimethylphenoxy)pyridine

C13H12ClNO — CID 82225184

IUPAC2-chloro-5-(3,4-dimethylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(Cl)nc2)cc1C
InChIInChI=1S/C13H12ClNO/c1-9-3-4-11(7-10(9)2)16-12-5-6-13(14)15-8-12/h3-8H,1-2H3
InChIKeyVPEPURXBBVXWRQ-UHFFFAOYSA-N
MW233.70 g/mol
LogP4.14
Rot. Bonds2

About 2-chloro-5-(3,4-dimethylphenoxy)pyridine

2-chloro-5-(3,4-dimethylphenoxy)pyridine (PubChem CID 82225184) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name2-chloro-5-(3,4-dimethylphenoxy)pyridine
PubChem CID82225184
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-chloro-5-(3,4-dimethylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(Cl)nc2)cc1C
InChIInChI=1S/C13H12ClNO/c1-9-3-4-11(7-10(9)2)16-12-5-6-13(14)15-8-12/h3-8H,1-2H3
InChIKeyVPEPURXBBVXWRQ-UHFFFAOYSA-N
XLogP4.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 54.14
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

2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 170946631
2,4-dichloro-5-[(3,4-dimethylphenoxy)methyl]pyridine
CID 116519336
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
2-(3,4-dimethylphenoxy)-5-methylpyridine
CID 123670346
4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
1-[3-[(6-chloro-3-pyridinyl)oxy]phenyl]-4-methylpiperazine
CID 59588917
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
3-chloro-5-(3,4-dimethylphenoxy)-1,2,4-triazine
CID 114999699
4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline
CID 133384134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dimethylphenoxy)pyridine?
The IUPAC name of 2-chloro-5-(3,4-dimethylphenoxy)pyridine (CID 82225184) is 2-chloro-5-(3,4-dimethylphenoxy)pyridine.
What is the SMILES notation for 2-chloro-5-(3,4-dimethylphenoxy)pyridine?
The canonical SMILES for 2-chloro-5-(3,4-dimethylphenoxy)pyridine is Cc1ccc(Oc2ccc(Cl)nc2)cc1C.
What is the InChIKey of 2-chloro-5-(3,4-dimethylphenoxy)pyridine?
The InChIKey is VPEPURXBBVXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-3-4-11(7-10(9)2)16-12-5-6-13(14)15-8-12/h3-8H,1-2H3.
What are the key properties of 2-chloro-5-(3,4-dimethylphenoxy)pyridine?
2-chloro-5-(3,4-dimethylphenoxy)pyridine has a molecular weight of 233.70 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dimethylphenoxy)pyridine is sourced from PubChem (CID 82225184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).