5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde

C10H14N2O3 — CID 153331814

IUPAC5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)ncc1CNCCO
InChIInChI=1S/C10H14N2O3/c1-15-10-4-9(7-14)12-6-8(10)5-11-2-3-13/h4,6-7,11,13H,2-3,5H2,1H3
InChIKeyIWCHBDZECWOBTC-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.02
Rot. Bonds6

About 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde

5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde (PubChem CID 153331814) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde
PubChem CID153331814
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde
SMILESCOc1cc(C=O)ncc1CNCCO
InChIInChI=1S/C10H14N2O3/c1-15-10-4-9(7-14)12-6-8(10)5-11-2-3-13/h4,6-7,11,13H,2-3,5H2,1H3
InChIKeyIWCHBDZECWOBTC-UHFFFAOYSA-N
XLogP-0.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-2-methoxy-4-methylphenyl)methylamino]ethanol
CID 96660011
4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
CID 171489497
2-[[6-(4-bromoindazol-1-yl)-4-methoxy-3-pyridinyl]methylamino]ethanol
CID 164566265
ethane;4-methoxy-5-[(2-methoxyethylamino)methyl]-N-methylpyridine-2-carboxamide
CID 171489496
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[5-bromo-4-[(2-hydroxyethylamino)methyl]-2-methoxyphenoxy]acetamide
CID 2991093

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde?
The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde (CID 153331814) is 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde?
The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde is COc1cc(C=O)ncc1CNCCO.
What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde?
The InChIKey is IWCHBDZECWOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-15-10-4-9(7-14)12-6-8(10)5-11-2-3-13/h4,6-7,11,13H,2-3,5H2,1H3.
What are the key properties of 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde?
5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde has a molecular weight of 210.23 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyethylamino)methyl]-4-methoxypyridine-2-carbaldehyde is sourced from PubChem (CID 153331814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).