5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde

C10H12BrNO2 — CID 131621079

IUPAC5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
SMILESCC(C)(C)Oc1ncc(Br)cc1C=O
InChIInChI=1S/C10H12BrNO2/c1-10(2,3)14-9-7(6-13)4-8(11)5-12-9/h4-6H,1-3H3
InChIKeyHQYRNIXMDUOWRH-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.83
Rot. Bonds2

About 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde

5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde (PubChem CID 131621079) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
PubChem CID131621079
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
SMILESCC(C)(C)Oc1ncc(Br)cc1C=O
InChIInChI=1S/C10H12BrNO2/c1-10(2,3)14-9-7(6-13)4-8(11)5-12-9/h4-6H,1-3H3
InChIKeyHQYRNIXMDUOWRH-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
CID 87890582
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
(Z)-3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoic acid
CID 42553141
5-bromo-3-formylpyridine-2-carboxylic acid
CID 90456773
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
CID 138114377
5-bromo-2-(3,4-dimethylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 129253321
tert-butyl N-(6-bromo-4-formyl-3-pyridinyl)carbamate
CID 130115138
5-chloro-2-ethoxypyridine-3-carbaldehyde
CID 86084027
8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 156822440
5-bromo-2-(2-hydroxy-2,3-dimethylbutoxy)benzaldehyde
CID 114493960
3-(5-bromo-2-chloro-3-pyridinyl)prop-2-enoic acid
CID 169461106
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
The IUPAC name of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde (CID 131621079) is 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
The canonical SMILES for 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde is CC(C)(C)Oc1ncc(Br)cc1C=O.
What is the InChIKey of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
The InChIKey is HQYRNIXMDUOWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-10(2,3)14-9-7(6-13)4-8(11)5-12-9/h4-6H,1-3H3.
What are the key properties of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde?
5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde has a molecular weight of 258.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 131621079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).