6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde

C10H12ClNO4 — CID 117366491

IUPAC6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
SMILESCOc1c(CNO)cc(Cl)c(C=O)c1OC
InChIInChI=1S/C10H12ClNO4/c1-15-9-6(4-12-14)3-8(11)7(5-13)10(9)16-2/h3,5,12,14H,4H2,1-2H3
InChIKeyHWEIGZDBVUVMTI-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.65
Rot. Bonds5

About 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde

6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde (PubChem CID 117366491) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde.

Molecular Properties

Compound Name6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
PubChem CID117366491
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde
SMILESCOc1c(CNO)cc(Cl)c(C=O)c1OC
InChIInChI=1S/C10H12ClNO4/c1-15-9-6(4-12-14)3-8(11)7(5-13)10(9)16-2/h3,5,12,14H,4H2,1-2H3
InChIKeyHWEIGZDBVUVMTI-UHFFFAOYSA-N
XLogP1.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
CID 84693990
4-acetyl-6-chloro-2,3-dimethoxybenzaldehyde
CID 84703434
4-(1-aminoethyl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 84704040
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 143635325
N-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 117280060
4-(4-aminobutan-2-yl)-6-chloro-2,3-dimethoxybenzaldehyde
CID 117432338
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
N-[(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]hydroxylamine
CID 117327723
4-hydroxy-2-[(hydroxyamino)methyl]-5-methoxybenzaldehyde
CID 117286677

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde?
The IUPAC name of 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde (CID 117366491) is 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde.
What is the SMILES notation for 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde?
The canonical SMILES for 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde is COc1c(CNO)cc(Cl)c(C=O)c1OC.
What is the InChIKey of 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde?
The InChIKey is HWEIGZDBVUVMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c1-15-9-6(4-12-14)3-8(11)7(5-13)10(9)16-2/h3,5,12,14H,4H2,1-2H3.
What are the key properties of 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde?
6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde has a molecular weight of 245.66 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(hydroxyamino)methyl]-2,3-dimethoxybenzaldehyde is sourced from PubChem (CID 117366491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).