2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine

C13H8Cl2F3NO — CID 118830574

IUPAC2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)ccnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c1-20-12-7(13(16,17)18)5-6-19-11(12)10-8(14)3-2-4-9(10)15/h2-6H,1H3
InChIKeyYSRWZRAONDZCMB-UHFFFAOYSA-N
MW322.11 g/mol
LogP5.08
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine

2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine (PubChem CID 118830574) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine
PubChem CID118830574
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)ccnc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c1-20-12-7(13(16,17)18)5-6-19-11(12)10-8(14)3-2-4-9(10)15/h2-6H,1H3
InChIKeyYSRWZRAONDZCMB-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.11
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704406
3-chloro-2-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134636127
2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118802502
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
2-chloro-3-methoxy-4-[3-(trifluoromethyl)phenyl]pyridine
CID 118997181
2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 170837705
2-(2,6-dichlorophenyl)-3-methylpyridine
CID 118841939
2-methoxy-3,4-bis(trifluoromethyl)pyridine
CID 133095141
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830530
4-chloro-3-(trifluoromethyl)pyridin-2-amine;ethane
CID 167491380
[6-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanol
CID 171003011

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine (CID 118830574) is 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine is COc1c(C(F)(F)F)ccnc1-c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine?
The InChIKey is YSRWZRAONDZCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c1-20-12-7(13(16,17)18)5-6-19-11(12)10-8(14)3-2-4-9(10)15/h2-6H,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine?
2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine has a molecular weight of 322.11 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-methoxy-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 118830574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).