2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine

C12H17Cl2NO — CID 79447743

IUPAC2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC(CCl)CCl)c1C
InChIInChI=1S/C12H17Cl2NO/c1-8-7-15-11(4-10(5-13)6-14)9(2)12(8)16-3/h7,10H,4-6H2,1-3H3
InChIKeyOLDJAFLHKVOSKC-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.34
Rot. Bonds5

About 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine

2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine (PubChem CID 79447743) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
PubChem CID79447743
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CC(CCl)CCl)c1C
InChIInChI=1S/C12H17Cl2NO/c1-8-7-15-11(4-10(5-13)6-14)9(2)12(8)16-3/h7,10H,4-6H2,1-3H3
InChIKeyOLDJAFLHKVOSKC-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902
2-[2-(4-bromophenyl)-3-chloropropyl]-4-methoxy-3,5-dimethylpyridine
CID 79433899
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butyl]cyclopropanamine
CID 62529169
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
3-(diethylamino)-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79047638
3-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058596
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine (CID 79447743) is 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CC(CCl)CCl)c1C.
What is the InChIKey of 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine?
The InChIKey is OLDJAFLHKVOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8-7-15-11(4-10(5-13)6-14)9(2)12(8)16-3/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine?
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine has a molecular weight of 262.18 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 79447743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).