2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde

C13H12N2O2 — CID 115036600

IUPAC2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccccc1-c1cnc(N)c(C=O)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-5-3-2-4-11(12)9-6-10(8-16)13(14)15-7-9/h2-8H,1H3,(H2,14,15)
InChIKeyBTIXGYVJUQZDTQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.15
Rot. Bonds3

About 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde

2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde (PubChem CID 115036600) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
PubChem CID115036600
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
SMILESCOc1ccccc1-c1cnc(N)c(C=O)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-5-3-2-4-11(12)9-6-10(8-16)13(14)15-7-9/h2-8H,1H3,(H2,14,15)
InChIKeyBTIXGYVJUQZDTQ-UHFFFAOYSA-N
XLogP2.15
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
[2-amino-5-(2-methoxyphenyl)-3-pyridinyl]methanol
CID 115037715
5-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
CID 145269302
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
CID 126763378
2-amino-5-(3-hydroxyphenyl)pyridine-3-carbaldehyde
CID 115028666
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
5-(2-fluoro-3-methoxyphenyl)-3-methylpyridin-2-amine
CID 83170169
2-amino-5-(2-phenylethynyl)pyridine-3-carbaldehyde
CID 123441309
2-methoxy-4-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649769

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde (CID 115036600) is 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde is COc1ccccc1-c1cnc(N)c(C=O)c1.
What is the InChIKey of 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde?
The InChIKey is BTIXGYVJUQZDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-5-3-2-4-11(12)9-6-10(8-16)13(14)15-7-9/h2-8H,1H3,(H2,14,15).
What are the key properties of 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde?
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 115036600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).