2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine

C12H9Cl3N2O — CID 58615529

IUPAC2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine
SMILESCc1cnc(OCc2cnc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O/c1-7-2-10(14)12(17-4-7)18-6-8-3-9(13)11(15)16-5-8/h2-5H,6H2,1H3
InChIKeyMJTAJBGOSGCXFR-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.32
Rot. Bonds3

About 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine

2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine (PubChem CID 58615529) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine.

Molecular Properties

Compound Name2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine
PubChem CID58615529
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine
SMILESCc1cnc(OCc2cnc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O/c1-7-2-10(14)12(17-4-7)18-6-8-3-9(13)11(15)16-5-8/h2-5H,6H2,1H3
InChIKeyMJTAJBGOSGCXFR-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methyl-2-propoxypyridine
CID 58571259
2,3-dichloro-5-ethylpyridine
CID 20678674
3-bromo-2-[(4-chlorophenyl)methoxy]-5-methylpyridine
CID 105368343
3-chloro-2-methoxy-5-methylpyridine;methanamine
CID 163239681
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 65125298
2-[(5,6-dichloro-3-pyridinyl)methoxymethoxy]ethyl-trimethylsilane
CID 58625816
3-chloro-5-methyl-2-(4,4,4-trifluorobutoxy)pyridine
CID 155156958
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132
methyl N-[4-[(5,6-dichloro-3-pyridinyl)methoxy]-2-methylphenyl]carbamate
CID 139811113
2-chloro-3,5-dimethylpyridine;hydrochloride
CID 174570107
bromomethane;2-chloro-3-fluoro-5-methylpyridine
CID 143545285
2-chloro-3-methoxy-5-methylpyridine
CID 46318108

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine?
The IUPAC name of 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine (CID 58615529) is 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine.
What is the SMILES notation for 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine?
The canonical SMILES for 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine is Cc1cnc(OCc2cnc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine?
The InChIKey is MJTAJBGOSGCXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-7-2-10(14)12(17-4-7)18-6-8-3-9(13)11(15)16-5-8/h2-5H,6H2,1H3.
What are the key properties of 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine?
2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine has a molecular weight of 303.58 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-[(3-chloro-5-methyl-2-pyridinyl)oxymethyl]pyridine is sourced from PubChem (CID 58615529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).