5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane

C11H16BrNO4 — CID 87890582

IUPAC5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
SMILESCOC(C)OC.COc1ncc(Br)cc1C=O
InChIInChI=1S/C7H6BrNO2.C4H10O2/c1-11-7-5(4-10)2-6(8)3-9-7;1-4(5-2)6-3/h2-4H,1H3;4H,1-3H3
InChIKeyLTBLBIKRJWWPPM-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.29
Rot. Bonds4

About 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane

5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane (PubChem CID 87890582) has the molecular formula C11H16BrNO4 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane.

Molecular Properties

Compound Name5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
PubChem CID87890582
Molecular FormulaC11H16BrNO4
Molecular Weight306.16 g/mol
Exact Mass305.03
IUPAC Name5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane
SMILESCOC(C)OC.COc1ncc(Br)cc1C=O
InChIInChI=1S/C7H6BrNO2.C4H10O2/c1-11-7-5(4-10)2-6(8)3-9-7;1-4(5-2)6-3/h2-4H,1H3;4H,1-3H3
InChIKeyLTBLBIKRJWWPPM-UHFFFAOYSA-N
XLogP2.29
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[(2-methylpropan-2-yl)oxy]pyridine-3-carbaldehyde
CID 131621079
(Z)-3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoic acid
CID 42553141
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
CID 138114377
2-methoxy-5-(1-methylpyrazol-4-yl)pyridine-3-carbaldehyde
CID 146640622
S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
CID 126518732
5-bromo-2-methoxy-3-propan-2-ylpyridine;(6-methoxy-5-propan-2-yl-3-pyridinyl)boronic acid
CID 164973115
2-bromo-3,4,5-trimethoxybenzaldehyde;1,1-dimethoxyethane
CID 88526505
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
N-[(5-bromo-2-methoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62292648
5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate
CID 123548943
(1S)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130690048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane?
The IUPAC name of 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane (CID 87890582) is 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane.
What is the SMILES notation for 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane?
The canonical SMILES for 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane is COC(C)OC.COc1ncc(Br)cc1C=O.
What is the InChIKey of 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane?
The InChIKey is LTBLBIKRJWWPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2.C4H10O2/c1-11-7-5(4-10)2-6(8)3-9-7;1-4(5-2)6-3/h2-4H,1H3;4H,1-3H3.
What are the key properties of 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane?
5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane has a molecular weight of 306.16 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxypyridine-3-carbaldehyde;1,1-dimethoxyethane is sourced from PubChem (CID 87890582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).