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

C11H15Cl2N — CID 44613258

IUPAC2-chloro-3-(chloromethyl)-5-pentylpyridine
SMILESCCCCCc1cnc(Cl)c(CCl)c1
InChIInChI=1S/C11H15Cl2N/c1-2-3-4-5-9-6-10(7-12)11(13)14-8-9/h6,8H,2-5,7H2,1H3
InChIKeyLYKOBRMKVQNPNQ-UHFFFAOYSA-N
MW232.15 g/mol
LogP4.21
Rot. Bonds5

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

2-chloro-3-(chloromethyl)-5-pentylpyridine (PubChem CID 44613258) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-5-pentylpyridine.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-5-pentylpyridine
PubChem CID44613258
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name2-chloro-3-(chloromethyl)-5-pentylpyridine
SMILESCCCCCc1cnc(Cl)c(CCl)c1
InChIInChI=1S/C11H15Cl2N/c1-2-3-4-5-9-6-10(7-12)11(13)14-8-9/h6,8H,2-5,7H2,1H3
InChIKeyLYKOBRMKVQNPNQ-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
2,5-dichloro-3-hexylpyridine
CID 87077345
3-pentyl-2,5-dipropylpyridine
CID 174744841
3-chloro-5-octylpyridine
CID 138579116
3-chloro-5-pentylpyridine
CID 59945518
1,4-bis(chloromethyl)-2-pentylbenzene
CID 69328876
2,3-dichloro-5-(4-pentylphenyl)pyridine
CID 23190641
1,4-bis(chloromethyl)-2,5-didodecylbenzene
CID 71381372
5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310
3-chloro-5-(chloromethyl)-2-pentoxypyridine
CID 61267494
2-chloro-3-pentylpyridine
CID 54505218
2-chloro-3-dodecylpyridine
CID 54546812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-5-pentylpyridine?
The IUPAC name of 2-chloro-3-(chloromethyl)-5-pentylpyridine (CID 44613258) is 2-chloro-3-(chloromethyl)-5-pentylpyridine.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-5-pentylpyridine?
The canonical SMILES for 2-chloro-3-(chloromethyl)-5-pentylpyridine is CCCCCc1cnc(Cl)c(CCl)c1.
What is the InChIKey of 2-chloro-3-(chloromethyl)-5-pentylpyridine?
The InChIKey is LYKOBRMKVQNPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-2-3-4-5-9-6-10(7-12)11(13)14-8-9/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-chloro-3-(chloromethyl)-5-pentylpyridine?
2-chloro-3-(chloromethyl)-5-pentylpyridine has a molecular weight of 232.15 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-5-pentylpyridine is sourced from PubChem (CID 44613258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).