3-chloro-5-(4-chlorobutoxy)pyridine

C9H11Cl2NO — CID 64601364

IUPAC3-chloro-5-(4-chlorobutoxy)pyridine
SMILESClCCCCOc1cncc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c10-3-1-2-4-13-9-5-8(11)6-12-7-9/h5-7H,1-4H2
InChIKeyYMJPDZCEBAYWOT-UHFFFAOYSA-N
MW220.10 g/mol
LogP3.13
Rot. Bonds5

About 3-chloro-5-(4-chlorobutoxy)pyridine

3-chloro-5-(4-chlorobutoxy)pyridine (PubChem CID 64601364) has the molecular formula C9H11Cl2NO and a molecular weight of 220.10 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorobutoxy)pyridine.

Molecular Properties

Compound Name3-chloro-5-(4-chlorobutoxy)pyridine
PubChem CID64601364
Molecular FormulaC9H11Cl2NO
Molecular Weight220.10 g/mol
Exact Mass219.02
IUPAC Name3-chloro-5-(4-chlorobutoxy)pyridine
SMILESClCCCCOc1cncc(Cl)c1
InChIInChI=1S/C9H11Cl2NO/c10-3-1-2-4-13-9-5-8(11)6-12-7-9/h5-7H,1-4H2
InChIKeyYMJPDZCEBAYWOT-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-chloroethoxy)pyridine
CID 10559633
1,3-dichloro-5-(5-chloropentoxy)benzene
CID 43621927
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
CID 64601650
1,3-dichloro-5-[5-(3,5-dichlorophenoxy)pentoxy]benzene
CID 59168458
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
2-[3-[(5-chloro-3-pyridinyl)oxy]propoxy]benzonitrile
CID 64602339
5-[(5-chloro-3-pyridinyl)oxymethyl]pyrazin-2-amine
CID 103059159
tert-butyl 3-[(5-chloro-3-pyridinyl)oxy]propanoate
CID 116659230
4-bromo-N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]aniline
CID 64601611
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 64601439
3-(azetidin-1-ylmethoxy)-5-chloropyridine;dihydrochloride
CID 22451612

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chlorobutoxy)pyridine?
The IUPAC name of 3-chloro-5-(4-chlorobutoxy)pyridine (CID 64601364) is 3-chloro-5-(4-chlorobutoxy)pyridine.
What is the SMILES notation for 3-chloro-5-(4-chlorobutoxy)pyridine?
The canonical SMILES for 3-chloro-5-(4-chlorobutoxy)pyridine is ClCCCCOc1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-(4-chlorobutoxy)pyridine?
The InChIKey is YMJPDZCEBAYWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO/c10-3-1-2-4-13-9-5-8(11)6-12-7-9/h5-7H,1-4H2.
What are the key properties of 3-chloro-5-(4-chlorobutoxy)pyridine?
3-chloro-5-(4-chlorobutoxy)pyridine has a molecular weight of 220.10 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chlorobutoxy)pyridine is sourced from PubChem (CID 64601364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).