[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol

C20H18BrF2NO2 — CID 141203510

IUPAC[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol
SMILESCC1=CC(OCc2ccc(F)cc2F)=C(Br)CN1c1ccc(CO)cc1
InChIInChI=1S/C20H18BrF2NO2/c1-13-8-20(26-12-15-4-5-16(22)9-19(15)23)18(21)10-24(13)17-6-2-14(11-25)3-7-17/h2-9,25H,10-12H2,1H3
InChIKeyKSUKBZYTEJCTNX-UHFFFAOYSA-N
MW422.27 g/mol
LogP5.00
Rot. Bonds5

About [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol

[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol (PubChem CID 141203510) has the molecular formula C20H18BrF2NO2 and a molecular weight of 422.27 g/mol. Its IUPAC name is [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol
PubChem CID141203510
Molecular FormulaC20H18BrF2NO2
Molecular Weight422.27 g/mol
Exact Mass421.05
IUPAC Name[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol
SMILESCC1=CC(OCc2ccc(F)cc2F)=C(Br)CN1c1ccc(CO)cc1
InChIInChI=1S/C20H18BrF2NO2/c1-13-8-20(26-12-15-4-5-16(22)9-19(15)23)18(21)10-24(13)17-6-2-14(11-25)3-7-17/h2-9,25H,10-12H2,1H3
InChIKeyKSUKBZYTEJCTNX-UHFFFAOYSA-N
XLogP5.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.27
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol?
The IUPAC name of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol (CID 141203510) is [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol?
The canonical SMILES for [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol is CC1=CC(OCc2ccc(F)cc2F)=C(Br)CN1c1ccc(CO)cc1.
What is the InChIKey of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol?
The InChIKey is KSUKBZYTEJCTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF2NO2/c1-13-8-20(26-12-15-4-5-16(22)9-19(15)23)18(21)10-24(13)17-6-2-14(11-25)3-7-17/h2-9,25H,10-12H2,1H3.
What are the key properties of [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol?
[4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol has a molecular weight of 422.27 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]phenyl]methanol is sourced from PubChem (CID 141203510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).