3-chloro-5-(chloromethyl)-2-pentoxypyridine

C11H15Cl2NO — CID 61267494

IUPAC3-chloro-5-(chloromethyl)-2-pentoxypyridine
SMILESCCCCCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-3-4-5-15-11-10(13)6-9(7-12)8-14-11/h6,8H,2-5,7H2,1H3
InChIKeyROSOULZFZURZBF-UHFFFAOYSA-N
MW248.15 g/mol
LogP4.04
Rot. Bonds6

About 3-chloro-5-(chloromethyl)-2-pentoxypyridine

3-chloro-5-(chloromethyl)-2-pentoxypyridine (PubChem CID 61267494) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-pentoxypyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-pentoxypyridine
PubChem CID61267494
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-chloro-5-(chloromethyl)-2-pentoxypyridine
SMILESCCCCCOc1ncc(CCl)cc1Cl
InChIInChI=1S/C11H15Cl2NO/c1-2-3-4-5-15-11-10(13)6-9(7-12)8-14-11/h6,8H,2-5,7H2,1H3
InChIKeyROSOULZFZURZBF-UHFFFAOYSA-N
XLogP4.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 54.04
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

2-(2-butoxyethoxy)-3-chloro-5-(chloromethyl)pyridine
CID 61267855
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
N-[(5-chloro-6-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63487951
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448479
3-chloro-5-(chloromethyl)-2-ethylpyridine
CID 59698800
N-[[6-(2-butoxyethoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 62291810
3-chloro-5-methyl-2-propoxypyridine
CID 58571259
1-(chloromethyl)-3,5-di(nonoxy)benzene
CID 69306580
N-[(5-chloro-6-pent-4-enoxy-3-pyridinyl)methyl]ethanamine
CID 79114404
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-2-pentoxypyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-pentoxypyridine (CID 61267494) is 3-chloro-5-(chloromethyl)-2-pentoxypyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-pentoxypyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-pentoxypyridine is CCCCCOc1ncc(CCl)cc1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-pentoxypyridine?
The InChIKey is ROSOULZFZURZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO/c1-2-3-4-5-15-11-10(13)6-9(7-12)8-14-11/h6,8H,2-5,7H2,1H3.
What are the key properties of 3-chloro-5-(chloromethyl)-2-pentoxypyridine?
3-chloro-5-(chloromethyl)-2-pentoxypyridine has a molecular weight of 248.15 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(chloromethyl)-2-pentoxypyridine is sourced from PubChem (CID 61267494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).