2-(dichloromethyl)-3-methoxypyridine

C7H7Cl2NO — CID 141354456

IUPAC2-(dichloromethyl)-3-methoxypyridine
SMILESCOc1cccnc1C(Cl)Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-5-3-2-4-10-6(5)7(8)9/h2-4,7H,1H3
InChIKeyVLXDCIUDHIJHMM-UHFFFAOYSA-N
MW192.05 g/mol
LogP2.57
Rot. Bonds2

About 2-(dichloromethyl)-3-methoxypyridine

2-(dichloromethyl)-3-methoxypyridine (PubChem CID 141354456) has the molecular formula C7H7Cl2NO and a molecular weight of 192.05 g/mol. Its IUPAC name is 2-(dichloromethyl)-3-methoxypyridine.

Molecular Properties

Compound Name2-(dichloromethyl)-3-methoxypyridine
PubChem CID141354456
Molecular FormulaC7H7Cl2NO
Molecular Weight192.05 g/mol
Exact Mass190.99
IUPAC Name2-(dichloromethyl)-3-methoxypyridine
SMILESCOc1cccnc1C(Cl)Cl
InChIInChI=1S/C7H7Cl2NO/c1-11-5-3-2-4-10-6(5)7(8)9/h2-4,7H,1H3
InChIKeyVLXDCIUDHIJHMM-UHFFFAOYSA-N
XLogP2.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 52.57
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

(1S)-1-(3-methoxy-2-pyridinyl)-2-methylpropan-1-amine
CID 130691803
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666
2-[1-(2,4-dichlorophenyl)ethyl]-3-methoxypyridine
CID 70531872
(2S)-2-bromo-2-(3-methoxy-2-pyridinyl)acetaldehyde
CID 146197520
(2R)-2-amino-2-(3-methoxy-2-pyridinyl)ethanol
CID 96850177
2,2-difluoro-1-(3-methoxy-2-pyridinyl)propan-1-amine
CID 130650453
1-(3-methoxy-2-pyridinyl)-2-phenylethane-1,2-diol
CID 114053795
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
[(3-chloro-2-pyridinyl)-(2,6-dimethoxyphenyl)methyl]hydrazine
CID 103445899
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
CID 114053820
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803

Frequently Asked Questions

What is the IUPAC name of 2-(dichloromethyl)-3-methoxypyridine?
The IUPAC name of 2-(dichloromethyl)-3-methoxypyridine (CID 141354456) is 2-(dichloromethyl)-3-methoxypyridine.
What is the SMILES notation for 2-(dichloromethyl)-3-methoxypyridine?
The canonical SMILES for 2-(dichloromethyl)-3-methoxypyridine is COc1cccnc1C(Cl)Cl.
What is the InChIKey of 2-(dichloromethyl)-3-methoxypyridine?
The InChIKey is VLXDCIUDHIJHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-11-5-3-2-4-10-6(5)7(8)9/h2-4,7H,1H3.
What are the key properties of 2-(dichloromethyl)-3-methoxypyridine?
2-(dichloromethyl)-3-methoxypyridine has a molecular weight of 192.05 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-3-methoxypyridine is sourced from PubChem (CID 141354456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).