5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine

C14H11BrClF2NO — CID 118344308

IUPAC5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine
SMILESCCOc1ccc(C(F)(F)c2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C14H11BrClF2NO/c1-2-20-10-4-5-11(12(16)7-10)14(17,18)13-6-3-9(15)8-19-13/h3-8H,2H2,1H3
InChIKeySEKZEPKMQKKKRZ-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.04
Rot. Bonds4

About 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine

5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine (PubChem CID 118344308) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine
PubChem CID118344308
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine
SMILESCCOc1ccc(C(F)(F)c2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C14H11BrClF2NO/c1-2-20-10-4-5-11(12(16)7-10)14(17,18)13-6-3-9(15)8-19-13/h3-8H,2H2,1H3
InChIKeySEKZEPKMQKKKRZ-UHFFFAOYSA-N
XLogP5.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine?
The IUPAC name of 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine (CID 118344308) is 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine is CCOc1ccc(C(F)(F)c2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine?
The InChIKey is SEKZEPKMQKKKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c1-2-20-10-4-5-11(12(16)7-10)14(17,18)13-6-3-9(15)8-19-13/h3-8H,2H2,1H3.
What are the key properties of 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine?
5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine has a molecular weight of 362.60 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chloro-4-ethoxyphenyl)-difluoromethyl]pyridine is sourced from PubChem (CID 118344308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).