5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

C19H13BrF2N2O2 — CID 122539634

IUPAC5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C19H13BrF2N2O2/c20-13-5-11(6-15(22)7-13)10-26-18-9-24-17(19(23)25)8-16(18)12-1-3-14(21)4-2-12/h1-9H,10H2,(H2,23,25)
InChIKeyHYMXJJDZLOJSGD-UHFFFAOYSA-N
MW419.23 g/mol
LogP4.47
Rot. Bonds5

About 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide

5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 122539634) has the molecular formula C19H13BrF2N2O2 and a molecular weight of 419.23 g/mol. Its IUPAC name is 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID122539634
Molecular FormulaC19H13BrF2N2O2
Molecular Weight419.23 g/mol
Exact Mass418.01
IUPAC Name5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C19H13BrF2N2O2/c20-13-5-11(6-15(22)7-13)10-26-18-9-24-17(19(23)25)8-16(18)12-1-3-14(21)4-2-12/h1-9H,10H2,(H2,23,25)
InChIKeyHYMXJJDZLOJSGD-UHFFFAOYSA-N
XLogP4.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)pyridine-2-carboxamide
CID 122539744
5-[(3-cyano-4-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
CID 122539716
4-(4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)pyridine-2-carboxamide
CID 134327152
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
5-[2-(3-cyanophenoxy)ethoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide
CID 122539713
(3-bromo-5-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317390
3-bromo-4-[(3-bromo-5-fluorophenyl)methoxy]benzoic acid
CID 79706770
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
3-[(3-bromo-5-fluorophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446135
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 83145817
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide (CID 122539634) is 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cc(F)cc(Br)c2)cn1.
What is the InChIKey of 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is HYMXJJDZLOJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrF2N2O2/c20-13-5-11(6-15(22)7-13)10-26-18-9-24-17(19(23)25)8-16(18)12-1-3-14(21)4-2-12/h1-9H,10H2,(H2,23,25).
What are the key properties of 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide?
5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 419.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-5-fluorophenyl)methoxy]-4-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 122539634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).