3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde

C15H14ClNO3 — CID 82037918

IUPAC3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OC(C)c1ccccn1
InChIInChI=1S/C15H14ClNO3/c1-10(13-5-3-4-6-17-13)20-15-12(16)7-11(9-18)8-14(15)19-2/h3-10H,1-2H3
InChIKeyAYAKVPMBJZICFQ-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.70
Rot. Bonds5

About 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde

3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde (PubChem CID 82037918) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde
PubChem CID82037918
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde
SMILESCOc1cc(C=O)cc(Cl)c1OC(C)c1ccccn1
InChIInChI=1S/C15H14ClNO3/c1-10(13-5-3-4-6-17-13)20-15-12(16)7-11(9-18)8-14(15)19-2/h3-10H,1-2H3
InChIKeyAYAKVPMBJZICFQ-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 9121741
3-chloro-5-methoxy-4-(phenylmethoxymethoxy)benzaldehyde
CID 102939672
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
CID 43117158
3-chloro-5-methoxy-4-[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 82037921
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
4-[(E)-but-2-enoxy]-3-chloro-5-methoxybenzaldehyde
CID 43114907

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde?
The IUPAC name of 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde (CID 82037918) is 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde?
The canonical SMILES for 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde is COc1cc(C=O)cc(Cl)c1OC(C)c1ccccn1.
What is the InChIKey of 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde?
The InChIKey is AYAKVPMBJZICFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10(13-5-3-4-6-17-13)20-15-12(16)7-11(9-18)8-14(15)19-2/h3-10H,1-2H3.
What are the key properties of 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde?
3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde has a molecular weight of 291.73 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(1-pyridin-2-ylethoxy)benzaldehyde is sourced from PubChem (CID 82037918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).