2-chloro-3-(diethoxymethyl)pyridine

C10H14ClNO2 — CID 139621057

IUPAC2-chloro-3-(diethoxymethyl)pyridine
SMILESCCOC(OCC)c1cccnc1Cl
InChIInChI=1S/C10H14ClNO2/c1-3-13-10(14-4-2)8-6-5-7-12-9(8)11/h5-7,10H,3-4H2,1-2H3
InChIKeyVPGCQAJYNBYHOP-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-3-(diethoxymethyl)pyridine

2-chloro-3-(diethoxymethyl)pyridine (PubChem CID 139621057) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-3-(diethoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(diethoxymethyl)pyridine
PubChem CID139621057
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-chloro-3-(diethoxymethyl)pyridine
SMILESCCOC(OCC)c1cccnc1Cl
InChIInChI=1S/C10H14ClNO2/c1-3-13-10(14-4-2)8-6-5-7-12-9(8)11/h5-7,10H,3-4H2,1-2H3
InChIKeyVPGCQAJYNBYHOP-UHFFFAOYSA-N
XLogP2.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(diethoxymethyl)-2-fluoropyridine
CID 172684948
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952
ethyl (3S)-3-amino-3-(2-chloro-3-pyridinyl)propanoate
CID 171218538
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
(2-chloro-3-pyridinyl)methanediol
CID 163733643
bis(2-chloro-3-pyridinyl)methanol
CID 14691920
(1R)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171198991
(1S)-1-(2-chloro-3-pyridinyl)hexan-1-amine
CID 171218514
(1S)-1-(2-chloro-3-pyridinyl)pentan-1-amine;hydrochloride
CID 171218513
(1S)-1-(2-chloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130649369
2-(diethoxymethyl)-3-methoxypyridine
CID 121221666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(diethoxymethyl)pyridine?
The IUPAC name of 2-chloro-3-(diethoxymethyl)pyridine (CID 139621057) is 2-chloro-3-(diethoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(diethoxymethyl)pyridine?
The canonical SMILES for 2-chloro-3-(diethoxymethyl)pyridine is CCOC(OCC)c1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(diethoxymethyl)pyridine?
The InChIKey is VPGCQAJYNBYHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-13-10(14-4-2)8-6-5-7-12-9(8)11/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3-(diethoxymethyl)pyridine?
2-chloro-3-(diethoxymethyl)pyridine has a molecular weight of 215.68 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(diethoxymethyl)pyridine is sourced from PubChem (CID 139621057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).