(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol

C19H24F2N2O2 — CID 118429840

IUPAC(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol
SMILESCc1cc(-c2cc(C(F)F)c(OC[C@@](C)(O)CC(C)C)cn2)ccn1
InChIInChI=1S/C19H24F2N2O2/c1-12(2)9-19(4,24)11-25-17-10-23-16(8-15(17)18(20)21)14-5-6-22-13(3)7-14/h5-8,10,12,18,24H,9,11H2,1-4H3/t19-/m0/s1
InChIKeyHKICMTCDBZSOMU-IBGZPJMESA-N
MW350.41 g/mol
LogP4.57
Rot. Bonds7

About (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol

(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol (PubChem CID 118429840) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol
PubChem CID118429840
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol
SMILESCc1cc(-c2cc(C(F)F)c(OC[C@@](C)(O)CC(C)C)cn2)ccn1
InChIInChI=1S/C19H24F2N2O2/c1-12(2)9-19(4,24)11-25-17-10-23-16(8-15(17)18(20)21)14-5-6-22-13(3)7-14/h5-8,10,12,18,24H,9,11H2,1-4H3/t19-/m0/s1
InChIKeyHKICMTCDBZSOMU-IBGZPJMESA-N
XLogP4.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol?
The IUPAC name of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol (CID 118429840) is (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol?
The canonical SMILES for (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol is Cc1cc(-c2cc(C(F)F)c(OC[C@@](C)(O)CC(C)C)cn2)ccn1.
What is the InChIKey of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol?
The InChIKey is HKICMTCDBZSOMU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24F2N2O2/c1-12(2)9-19(4,24)11-25-17-10-23-16(8-15(17)18(20)21)14-5-6-22-13(3)7-14/h5-8,10,12,18,24H,9,11H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol?
(2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol has a molecular weight of 350.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[4-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 118429840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).