4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde

C14H12ClNO3 — CID 1487813

IUPAC4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C14H12ClNO3/c1-18-13-6-10(8-17)2-4-12(13)19-9-11-3-5-14(15)16-7-11/h2-8H,9H2,1H3
InChIKeyDEWWGGUJXQNESF-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.14
Rot. Bonds5

About 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde

4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde (PubChem CID 1487813) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde
PubChem CID1487813
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C14H12ClNO3/c1-18-13-6-10(8-17)2-4-12(13)19-9-11-3-5-14(15)16-7-11/h2-8H,9H2,1H3
InChIKeyDEWWGGUJXQNESF-UHFFFAOYSA-N
XLogP3.14
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde (CID 1487813) is 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCc1ccc(Cl)nc1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is DEWWGGUJXQNESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-18-13-6-10(8-17)2-4-12(13)19-9-11-3-5-14(15)16-7-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde?
4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 277.71 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 1487813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).