1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol

C10H14BrNO2 — CID 130575838

IUPAC1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ncccc1Br
InChIInChI=1S/C10H14BrNO2/c1-10(2,14)9(13)6-8-7(11)4-3-5-12-8/h3-5,9,13-14H,6H2,1-2H3
InChIKeyHITNIBYWGYNXTJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.52
Rot. Bonds3

About 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol

1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol (PubChem CID 130575838) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
PubChem CID130575838
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
SMILESCC(C)(O)C(O)Cc1ncccc1Br
InChIInChI=1S/C10H14BrNO2/c1-10(2,14)9(13)6-8-7(11)4-3-5-12-8/h3-5,9,13-14H,6H2,1-2H3
InChIKeyHITNIBYWGYNXTJ-UHFFFAOYSA-N
XLogP1.52
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(2-bromo-3,3-dimethylbutyl)pyridine
CID 63203575
4-(3-bromo-2-pyridinyl)-3-fluoro-2-methylbutan-2-amine
CID 130589412
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237
3-(3-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-amine
CID 130576837
4-(3-bromo-2-pyridinyl)butan-2-ol
CID 130576069
2-(3-bromo-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 63353363
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
2-(3-carboxy-2,3-dihydroxybutyl)pyridine-3-carboxylic acid
CID 175980080
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol (CID 130575838) is 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol is CC(C)(O)C(O)Cc1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol?
The InChIKey is HITNIBYWGYNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-10(2,14)9(13)6-8-7(11)4-3-5-12-8/h3-5,9,13-14H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol?
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol has a molecular weight of 260.13 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol is sourced from PubChem (CID 130575838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).