1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol

C10H13BrFNO — CID 151263552

IUPAC1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(F)c1cncc(Br)c1
InChIInChI=1S/C10H13BrFNO/c1-9(2,3)10(12,14)7-4-8(11)6-13-5-7/h4-6,14H,1-3H3
InChIKeyNUVVONNXYSSOQW-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.00
Rot. Bonds1

About 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol

1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol (PubChem CID 151263552) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol
PubChem CID151263552
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(F)c1cncc(Br)c1
InChIInChI=1S/C10H13BrFNO/c1-9(2,3)10(12,14)7-4-8(11)6-13-5-7/h4-6,14H,1-3H3
InChIKeyNUVVONNXYSSOQW-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(2-fluoropropan-2-yl)pyridine
CID 131618037
3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 138396389
(3S)-3-amino-3-(5-bromo-3-pyridinyl)butan-1-ol
CID 59250866
ethyl 2-(5-bromo-3-pyridinyl)-2-methylpropanoate
CID 71742853
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
CID 158838022
CID 158838022
3-bromo-5-(1,1,2,2-tetrafluoropropoxy)pyridine
CID 158842641
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
CID 123237942
2-[(5-bromo-3-pyridinyl)methyl]-2-methylpentanoic acid
CID 104800669

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol (CID 151263552) is 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)(F)c1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol?
The InChIKey is NUVVONNXYSSOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-9(2,3)10(12,14)7-4-8(11)6-13-5-7/h4-6,14H,1-3H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol?
1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-1-fluoro-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 151263552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).