[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol

C20H25F2NO2 — CID 143860020

IUPAC[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol
SMILESCCCC(C)(C)Cc1cc(CO)c(F)cc1-c1cc(OC)ncc1F
InChIInChI=1S/C20H25F2NO2/c1-5-6-20(2,3)10-13-7-14(12-24)17(21)8-15(13)16-9-19(25-4)23-11-18(16)22/h7-9,11,24H,5-6,10,12H2,1-4H3
InChIKeyDFSGUDZXXRLNDH-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.90
Rot. Bonds7

About [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol

[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol (PubChem CID 143860020) has the molecular formula C20H25F2NO2 and a molecular weight of 349.42 g/mol. Its IUPAC name is [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol
PubChem CID143860020
Molecular FormulaC20H25F2NO2
Molecular Weight349.42 g/mol
Exact Mass349.19
IUPAC Name[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol
SMILESCCCC(C)(C)Cc1cc(CO)c(F)cc1-c1cc(OC)ncc1F
InChIInChI=1S/C20H25F2NO2/c1-5-6-20(2,3)10-13-7-14(12-24)17(21)8-15(13)16-9-19(25-4)23-11-18(16)22/h7-9,11,24H,5-6,10,12H2,1-4H3
InChIKeyDFSGUDZXXRLNDH-UHFFFAOYSA-N
XLogP4.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2,2-dimethylpentyl)-2-fluoro-4-(2-fluoro-5-methoxyphenyl)phenyl]methanol
CID 143789392
(6-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571511
[5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazin-2-yl]methanol
CID 125488061
1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-propylphenyl]-2,2-dimethylpropan-1-ol
CID 91504672
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
1-[2-(5-fluoro-2-methoxy-4-pyridinyl)-5-(hydroxymethyl)phenyl]-2-methylpropan-1-ol
CID 91319791
5-fluoro-2-methoxy-4-(2,3,4,5,6-pentafluorophenyl)pyridine
CID 133088677
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
CID 133090425
1-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]but-3-en-1-ol
CID 130276492
sodium;cyclopropane;2-[3-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]ethyl-methylphosphinite
CID 156844283
4-(5-fluoro-2-methoxy-4-pyridinyl)-N-methoxy-N-methylbenzamide
CID 118864044
4-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996521

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol?
The IUPAC name of [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol (CID 143860020) is [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol.
What is the SMILES notation for [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol?
The canonical SMILES for [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol is CCCC(C)(C)Cc1cc(CO)c(F)cc1-c1cc(OC)ncc1F.
What is the InChIKey of [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol?
The InChIKey is DFSGUDZXXRLNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO2/c1-5-6-20(2,3)10-13-7-14(12-24)17(21)8-15(13)16-9-19(25-4)23-11-18(16)22/h7-9,11,24H,5-6,10,12H2,1-4H3.
What are the key properties of [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol?
[5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol has a molecular weight of 349.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpentyl)-2-fluoro-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methanol is sourced from PubChem (CID 143860020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).