3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine

C12H15Cl2NO — CID 112655937

IUPAC3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine
SMILESCC1CCOC1C(Cl)Cc1ccncc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8-3-5-16-12(8)10(13)6-9-2-4-15-7-11(9)14/h2,4,7-8,10,12H,3,5-6H2,1H3
InChIKeyYJRIQHAQAWUPFQ-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.31
Rot. Bonds3

About 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine

3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine (PubChem CID 112655937) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine
PubChem CID112655937
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine
SMILESCC1CCOC1C(Cl)Cc1ccncc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-8-3-5-16-12(8)10(13)6-9-2-4-15-7-11(9)14/h2,4,7-8,10,12H,3,5-6H2,1H3
InChIKeyYJRIQHAQAWUPFQ-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.31
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

N-[2-(3-chloro-4-pyridinyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 112655711
4-[2-(2-bicyclo[2.2.1]heptanyl)-2-chloroethyl]-3-chloropyridine
CID 112655850
4-[2-bromo-2-(oxan-2-yl)ethyl]-3-chloropyridine
CID 112656195
4-[2-(4-butylcyclohexyl)-2-chloroethyl]-3-chloropyridine
CID 115985104
1-(3-chloro-4-pyridinyl)-3-(1,3-dioxolan-2-yl)-N-ethylpropan-2-amine
CID 103546851
2-[1-chloro-2-(3-chloro-4-pyridinyl)ethyl]thiane 1,1-dioxide
CID 113422574
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
CID 106640481
1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986580
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine?
The IUPAC name of 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine (CID 112655937) is 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine.
What is the SMILES notation for 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine?
The canonical SMILES for 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine is CC1CCOC1C(Cl)Cc1ccncc1Cl.
What is the InChIKey of 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine?
The InChIKey is YJRIQHAQAWUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-8-3-5-16-12(8)10(13)6-9-2-4-15-7-11(9)14/h2,4,7-8,10,12H,3,5-6H2,1H3.
What are the key properties of 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine?
3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine has a molecular weight of 260.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine is sourced from PubChem (CID 112655937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).