2,3-dichloro-4-(1-methoxyethyl)pyridine

C8H9Cl2NO — CID 175384406

IUPAC2,3-dichloro-4-(1-methoxyethyl)pyridine
SMILESCOC(C)c1ccnc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5(12-2)6-3-4-11-8(10)7(6)9/h3-5H,1-2H3
InChIKeyBBZLZSASOPDKHE-UHFFFAOYSA-N
MW206.07 g/mol
LogP3.10
Rot. Bonds2

About 2,3-dichloro-4-(1-methoxyethyl)pyridine

2,3-dichloro-4-(1-methoxyethyl)pyridine (PubChem CID 175384406) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 2,3-dichloro-4-(1-methoxyethyl)pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-(1-methoxyethyl)pyridine
PubChem CID175384406
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name2,3-dichloro-4-(1-methoxyethyl)pyridine
SMILESCOC(C)c1ccnc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2NO/c1-5(12-2)6-3-4-11-8(10)7(6)9/h3-5H,1-2H3
InChIKeyBBZLZSASOPDKHE-UHFFFAOYSA-N
XLogP3.10
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 53.10
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-3-fluoro-4-propan-2-ylpyridine
CID 59849657
methyl 2-chloro-4-propan-2-ylpyridine-3-carboxylate
CID 167472553
2,3-dichloro-4-methylpyridine
CID 18930251
1-(2-chloro-3-fluoro-4-pyridinyl)ethanol
CID 155293845
2-chloro-3-fluoro-4-propan-2-yloxypyridine
CID 91620513
(1S)-1-(3-bromo-2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 130968986
4-(dimethoxymethyl)-2-(1-methoxyethyl)pyrimidine
CID 115531727
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
2,4-dichloro-5-(dimethoxymethyl)pyrimidine
CID 139536241
2-chloro-3-iodo-4-methylpyridine
CID 45108207
2-chloro-3-(1-methoxyethoxymethyl)pyrazine
CID 141315058
4-chloro-3-(1-methoxyethoxy)-2-methylpyridine
CID 19926460

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(1-methoxyethyl)pyridine?
The IUPAC name of 2,3-dichloro-4-(1-methoxyethyl)pyridine (CID 175384406) is 2,3-dichloro-4-(1-methoxyethyl)pyridine.
What is the SMILES notation for 2,3-dichloro-4-(1-methoxyethyl)pyridine?
The canonical SMILES for 2,3-dichloro-4-(1-methoxyethyl)pyridine is COC(C)c1ccnc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(1-methoxyethyl)pyridine?
The InChIKey is BBZLZSASOPDKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO/c1-5(12-2)6-3-4-11-8(10)7(6)9/h3-5H,1-2H3.
What are the key properties of 2,3-dichloro-4-(1-methoxyethyl)pyridine?
2,3-dichloro-4-(1-methoxyethyl)pyridine has a molecular weight of 206.07 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(1-methoxyethyl)pyridine is sourced from PubChem (CID 175384406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).