[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol

C14H15BrN2O — CID 62000367

IUPAC[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol
SMILESCc1cccc(N(C)c2ncc(Br)cc2CO)c1
InChIInChI=1S/C14H15BrN2O/c1-10-4-3-5-13(6-10)17(2)14-11(9-18)7-12(15)8-16-14/h3-8,18H,9H2,1-2H3
InChIKeyFFKHIOCREBHHQQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.41
Rot. Bonds3

About [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol

[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol (PubChem CID 62000367) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol
PubChem CID62000367
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol
SMILESCc1cccc(N(C)c2ncc(Br)cc2CO)c1
InChIInChI=1S/C14H15BrN2O/c1-10-4-3-5-13(6-10)17(2)14-11(9-18)7-12(15)8-16-14/h3-8,18H,9H2,1-2H3
InChIKeyFFKHIOCREBHHQQ-UHFFFAOYSA-N
XLogP3.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol (CID 62000367) is [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol is Cc1cccc(N(C)c2ncc(Br)cc2CO)c1.
What is the InChIKey of [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol?
The InChIKey is FFKHIOCREBHHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-4-3-5-13(6-10)17(2)14-11(9-18)7-12(15)8-16-14/h3-8,18H,9H2,1-2H3.
What are the key properties of [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol?
[5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(N,3-dimethylanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 62000367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).