(2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol

C16H17F2NO — CID 71173894

IUPAC(2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cccc(C(O)[C@@H](C)Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H17F2NO/c1-10(6-12-7-13(17)9-14(18)8-12)16(20)15-5-3-4-11(2)19-15/h3-5,7-10,16,20H,6H2,1-2H3/t10-,16?/m0/s1
InChIKeyVRQGCZISMZPQBB-VQVVDHBBSA-N
MW277.31 g/mol
LogP3.58
Rot. Bonds4

About (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol

(2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol (PubChem CID 71173894) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol
PubChem CID71173894
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol
SMILESCc1cccc(C(O)[C@@H](C)Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C16H17F2NO/c1-10(6-12-7-13(17)9-14(18)8-12)16(20)15-5-3-4-11(2)19-15/h3-5,7-10,16,20H,6H2,1-2H3/t10-,16?/m0/s1
InChIKeyVRQGCZISMZPQBB-VQVVDHBBSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol (CID 71173894) is (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol is Cc1cccc(C(O)[C@@H](C)Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is VRQGCZISMZPQBB-VQVVDHBBSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-10(6-12-7-13(17)9-14(18)8-12)16(20)15-5-3-4-11(2)19-15/h3-5,7-10,16,20H,6H2,1-2H3/t10-,16?/m0/s1.
What are the key properties of (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol?
(2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 277.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,5-difluorophenyl)-2-methyl-1-(6-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 71173894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).