2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine

C12H17Cl2NO2 — CID 61267855

IUPAC2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
SMILESCCCCOCCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-3-4-16-5-6-17-12-11(14)7-10(8-13)9-15-12/h7,9H,2-6,8H2,1H3
InChIKeyIUQBBODEPYYVKW-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.67
Rot. Bonds8

About 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine

2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine (PubChem CID 61267855) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
PubChem CID61267855
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
SMILESCCCCOCCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-3-4-16-5-6-17-12-11(14)7-10(8-13)9-15-12/h7,9H,2-6,8H2,1H3
InChIKeyIUQBBODEPYYVKW-UHFFFAOYSA-N
XLogP3.67
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-(chloromethyl)-2-pentoxypyridine
CID 61267494
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448479
[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methanamine
CID 103405668
N-[[5-chloro-6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]propan-1-amine
CID 103405941
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
CID 54956349
2-(2-butoxyethoxy)pyridine-3,5-diamine
CID 19913402
N-[[5-chloro-6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180798
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine?
The IUPAC name of 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine (CID 61267855) is 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine.
What is the SMILES notation for 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine?
The canonical SMILES for 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine is CCCCOCCOc1ncc(CCl)cc1Cl.
What is the InChIKey of 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine?
The InChIKey is IUQBBODEPYYVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-2-3-4-16-5-6-17-12-11(14)7-10(8-13)9-15-12/h7,9H,2-6,8H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine?
2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine has a molecular weight of 278.18 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine is sourced from PubChem (CID 61267855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).