2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde

C17H18N2O4 — CID 59599778

IUPAC2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
SMILESCOc1cc(-c2ccc(N3CCOCC3)nc2)cc(C=O)c1O
InChIInChI=1S/C17H18N2O4/c1-22-15-9-13(8-14(11-20)17(15)21)12-2-3-16(18-10-12)19-4-6-23-7-5-19/h2-3,8-11,21H,4-7H2,1H3
InChIKeyCECZDQAZDANSFX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.11
Rot. Bonds4

About 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde

2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde (PubChem CID 59599778) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
PubChem CID59599778
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
SMILESCOc1cc(-c2ccc(N3CCOCC3)nc2)cc(C=O)c1O
InChIInChI=1S/C17H18N2O4/c1-22-15-9-13(8-14(11-20)17(15)21)12-2-3-16(18-10-12)19-4-6-23-7-5-19/h2-3,8-11,21H,4-7H2,1H3
InChIKeyCECZDQAZDANSFX-UHFFFAOYSA-N
XLogP2.11
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-5-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]benzaldehyde
CID 139552152
2-hydroxy-3-methoxy-5-[5-(morpholine-4-carbonyl)thiophen-2-yl]benzaldehyde
CID 59599920
3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
CID 126763482
2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
CID 39225175
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
6-chloro-7-methoxy-2-(6-morpholin-4-yl-3-pyridinyl)-3H-quinazolin-4-one
CID 167813656
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
1,4-bis[5-(3,5-dimethoxy-4-propan-2-yloxyphenyl)-2-pyridinyl]-1,4-diazepane;methanesulfonic acid
CID 20634982
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
5-(3-bromo-4-methoxyphenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 67258367
methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate
CID 86663023

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde (CID 59599778) is 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde is COc1cc(-c2ccc(N3CCOCC3)nc2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
The InChIKey is CECZDQAZDANSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-9-13(8-14(11-20)17(15)21)12-2-3-16(18-10-12)19-4-6-23-7-5-19/h2-3,8-11,21H,4-7H2,1H3.
What are the key properties of 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde has a molecular weight of 314.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 59599778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).