2-chloro-6-[(3-ethylphenoxy)methyl]pyridine

C14H14ClNO — CID 79240680

IUPAC2-chloro-6-[(3-ethylphenoxy)methyl]pyridine
SMILESCCc1cccc(OCc2cccc(Cl)n2)c1
InChIInChI=1S/C14H14ClNO/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3
InChIKeyKIEXNYBJOUJZJQ-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.88
Rot. Bonds4

About 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine

2-chloro-6-[(3-ethylphenoxy)methyl]pyridine (PubChem CID 79240680) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[(3-ethylphenoxy)methyl]pyridine
PubChem CID79240680
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name2-chloro-6-[(3-ethylphenoxy)methyl]pyridine
SMILESCCc1cccc(OCc2cccc(Cl)n2)c1
InChIInChI=1S/C14H14ClNO/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3
InChIKeyKIEXNYBJOUJZJQ-UHFFFAOYSA-N
XLogP3.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
2-chloro-6-[(4-ethoxyphenoxy)methyl]pyridine
CID 79240758
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
2-[(4-bromophenoxy)methyl]-6-chloropyridine
CID 79240676
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridine
CID 79241095
3-[(3-ethylphenoxy)methyl]-1-methylpyrazol-5-amine
CID 82082157
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
1-chloro-4-[(3-ethylphenoxy)methyl]-2-fluorobenzene
CID 107888345
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine (CID 79240680) is 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine is CCc1cccc(OCc2cccc(Cl)n2)c1.
What is the InChIKey of 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine?
The InChIKey is KIEXNYBJOUJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-2-11-5-3-7-13(9-11)17-10-12-6-4-8-14(15)16-12/h3-9H,2,10H2,1H3.
What are the key properties of 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine?
2-chloro-6-[(3-ethylphenoxy)methyl]pyridine has a molecular weight of 247.72 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-ethylphenoxy)methyl]pyridine is sourced from PubChem (CID 79240680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).