3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine

C14H11ClF3NO — CID 1483185

IUPAC3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c1-20-11-4-2-9(3-5-11)6-13-12(15)7-10(8-19-13)14(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyVCZBEOFVMCBSAS-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.35
Rot. Bonds3

About 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 1483185) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
PubChem CID1483185
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCOc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3NO/c1-20-11-4-2-9(3-5-11)6-13-12(15)7-10(8-19-13)14(16,17)18/h2-5,7-8H,6H2,1H3
InChIKeyVCZBEOFVMCBSAS-UHFFFAOYSA-N
XLogP4.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
4-Chloro-7-methoxyquinoline
CID 10607829
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CID 228348
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242
4-(4-Methoxyphenyl)-2-methylpyridine
CID 23371780
7-Chloro-4-methoxyquinoline
CID 1511030
3-Chloro-2-[(3,5-dichlorophenoxy)methyl]-5-(trifluoromethyl)pyridine
CID 2745744
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetate
CID 3652861
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methyl}benzenol
CID 2782995
2-(4-Butoxyphenyl)pyridine
CID 11322128
3-(4-Methoxybenzylidene)anabaseine
CID 11601561

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine (CID 1483185) is 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine is COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is VCZBEOFVMCBSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c1-20-11-4-2-9(3-5-11)6-13-12(15)7-10(8-19-13)14(16,17)18/h2-5,7-8H,6H2,1H3.
What are the key properties of 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 301.70 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 1483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).