2-amino-4-chloro-5-ethoxybenzaldehyde

C9H10ClNO2 — CID 130139421

IUPAC2-amino-4-chloro-5-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)c(N)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-2-13-9-3-6(5-12)8(11)4-7(9)10/h3-5H,2,11H2,1H3
InChIKeyHPYCQRFUSBHBQA-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.13
Rot. Bonds3

About 2-amino-4-chloro-5-ethoxybenzaldehyde

2-amino-4-chloro-5-ethoxybenzaldehyde (PubChem CID 130139421) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-amino-4-chloro-5-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-5-ethoxybenzaldehyde
PubChem CID130139421
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-amino-4-chloro-5-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)c(N)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-2-13-9-3-6(5-12)8(11)4-7(9)10/h3-5H,2,11H2,1H3
InChIKeyHPYCQRFUSBHBQA-UHFFFAOYSA-N
XLogP2.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibutoxy-5-chlorobenzaldehyde
CID 164897800
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
4,5-diethoxy-2-hydroxybenzaldehyde
CID 22039093
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
2-chloro-3-ethoxy-5-fluorobenzaldehyde
CID 171005753
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021
2-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]benzaldehyde
CID 66528914
2-ethoxy-5-hydrazinylbenzaldehyde
CID 131214024
5-chloro-4-ethoxy-2-methylbenzenesulfonamide
CID 82297288
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-5-ethoxybenzaldehyde?
The IUPAC name of 2-amino-4-chloro-5-ethoxybenzaldehyde (CID 130139421) is 2-amino-4-chloro-5-ethoxybenzaldehyde.
What is the SMILES notation for 2-amino-4-chloro-5-ethoxybenzaldehyde?
The canonical SMILES for 2-amino-4-chloro-5-ethoxybenzaldehyde is CCOc1cc(C=O)c(N)cc1Cl.
What is the InChIKey of 2-amino-4-chloro-5-ethoxybenzaldehyde?
The InChIKey is HPYCQRFUSBHBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-2-13-9-3-6(5-12)8(11)4-7(9)10/h3-5H,2,11H2,1H3.
What are the key properties of 2-amino-4-chloro-5-ethoxybenzaldehyde?
2-amino-4-chloro-5-ethoxybenzaldehyde has a molecular weight of 199.64 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-5-ethoxybenzaldehyde is sourced from PubChem (CID 130139421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).