2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine

C14H14ClNO3 — CID 18674967

IUPAC2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ccnc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C14H14ClNO3/c1-17-11-6-10(7-12(18-2)14(11)19-3)9-4-5-16-13(15)8-9/h4-8H,1-3H3
InChIKeyVNEXCQOJRFWIHO-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine

2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine (PubChem CID 18674967) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
PubChem CID18674967
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine
SMILESCOc1cc(-c2ccnc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C14H14ClNO3/c1-17-11-6-10(7-12(18-2)14(11)19-3)9-4-5-16-13(15)8-9/h4-8H,1-3H3
InChIKeyVNEXCQOJRFWIHO-UHFFFAOYSA-N
XLogP3.43
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine?
The IUPAC name of 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine (CID 18674967) is 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine is COc1cc(-c2ccnc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine?
The InChIKey is VNEXCQOJRFWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-17-11-6-10(7-12(18-2)14(11)19-3)9-4-5-16-13(15)8-9/h4-8H,1-3H3.
What are the key properties of 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine?
2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine has a molecular weight of 279.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4,5-trimethoxyphenyl)pyridine is sourced from PubChem (CID 18674967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).