6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride

C14H14ClNO3 — CID 122199601

IUPAC6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride
SMILESCl.O=Cc1nc(CO)ccc1OCc1ccccc1
InChIInChI=1S/C14H13NO3.ClH/c16-8-12-6-7-14(13(9-17)15-12)18-10-11-4-2-1-3-5-11;/h1-7,9,16H,8,10H2;1H
InChIKeyGBIMFTBXOHEXKK-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.39
Rot. Bonds5

About 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride

6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride (PubChem CID 122199601) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride
PubChem CID122199601
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride
SMILESCl.O=Cc1nc(CO)ccc1OCc1ccccc1
InChIInChI=1S/C14H13NO3.ClH/c16-8-12-6-7-14(13(9-17)15-12)18-10-11-4-2-1-3-5-11;/h1-7,9,16H,8,10H2;1H
InChIKeyGBIMFTBXOHEXKK-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.39
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

N-(6-formyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 15239996
methyl 2-[6-(hydroxymethyl)-3-phenylmethoxy-2-pyridinyl]prop-2-enoate
CID 86751043
3,4-bis(phenylmethoxy)pyridine-2-carbaldehyde
CID 23245667
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
(4-formyl-2-phenylmethoxyphenyl) acetate
CID 71357562
2-hydroxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 71406162
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride?
The IUPAC name of 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride (CID 122199601) is 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride.
What is the SMILES notation for 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride?
The canonical SMILES for 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride is Cl.O=Cc1nc(CO)ccc1OCc1ccccc1.
What is the InChIKey of 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride?
The InChIKey is GBIMFTBXOHEXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3.ClH/c16-8-12-6-7-14(13(9-17)15-12)18-10-11-4-2-1-3-5-11;/h1-7,9,16H,8,10H2;1H.
What are the key properties of 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride?
6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride has a molecular weight of 279.72 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-phenylmethoxypyridine-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 122199601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).