6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate

C23H19BrNO3- — CID 58974027

IUPAC6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
SMILESCC1CC1COc1ccc(Br)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1
InChIInChI=1S/C23H20BrNO3/c1-14-11-15(14)13-28-22-10-9-16(24)12-19(22)17-5-2-3-6-18(17)20-7-4-8-21(25-20)23(26)27/h2-10,12,14-15H,11,13H2,1H3,(H,26,27)/p-1
InChIKeySAKAHNHJVBADAN-UHFFFAOYSA-M
MW437.31 g/mol
LogP4.58
Rot. Bonds6

About 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate

6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate (PubChem CID 58974027) has the molecular formula C23H19BrNO3- and a molecular weight of 437.31 g/mol. Its IUPAC name is 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
PubChem CID58974027
Molecular FormulaC23H19BrNO3-
Molecular Weight437.31 g/mol
Exact Mass436.06
IUPAC Name6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate
SMILESCC1CC1COc1ccc(Br)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1
InChIInChI=1S/C23H20BrNO3/c1-14-11-15(14)13-28-22-10-9-16(24)12-19(22)17-5-2-3-6-18(17)20-7-4-8-21(25-20)23(26)27/h2-10,12,14-15H,11,13H2,1H3,(H,26,27)/p-1
InChIKeySAKAHNHJVBADAN-UHFFFAOYSA-M
XLogP4.58
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The IUPAC name of 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate (CID 58974027) is 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate.
What is the SMILES notation for 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The canonical SMILES for 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate is CC1CC1COc1ccc(Br)cc1-c1ccccc1-c1cccc(C(=O)[O-])n1.
What is the InChIKey of 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
The InChIKey is SAKAHNHJVBADAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H20BrNO3/c1-14-11-15(14)13-28-22-10-9-16(24)12-19(22)17-5-2-3-6-18(17)20-7-4-8-21(25-20)23(26)27/h2-10,12,14-15H,11,13H2,1H3,(H,26,27)/p-1.
What are the key properties of 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate?
6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate has a molecular weight of 437.31 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-bromo-2-[(2-methylcyclopropyl)methoxy]phenyl]phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 58974027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).