2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde

C19H10BrClN2O2S — CID 170165844

IUPAC2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2nc(Br)sc2Oc2ccnc(Cl)c2)ccc2ccccc12
InChIInChI=1S/C19H10BrClN2O2S/c20-19-23-17(18(26-19)25-12-7-8-22-16(21)9-12)14-6-5-11-3-1-2-4-13(11)15(14)10-24/h1-10H
InChIKeyIUKRJFRQNSRBCP-UHFFFAOYSA-N
MW445.73 g/mol
LogP6.38
Rot. Bonds4

About 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde

2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde (PubChem CID 170165844) has the molecular formula C19H10BrClN2O2S and a molecular weight of 445.73 g/mol. Its IUPAC name is 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
PubChem CID170165844
Molecular FormulaC19H10BrClN2O2S
Molecular Weight445.73 g/mol
Exact Mass443.93
IUPAC Name2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2nc(Br)sc2Oc2ccnc(Cl)c2)ccc2ccccc12
InChIInChI=1S/C19H10BrClN2O2S/c20-19-23-17(18(26-19)25-12-7-8-22-16(21)9-12)14-6-5-11-3-1-2-4-13(11)15(14)10-24/h1-10H
InChIKeyIUKRJFRQNSRBCP-UHFFFAOYSA-N
XLogP6.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.73
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde (CID 170165844) is 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde is O=Cc1c(-c2nc(Br)sc2Oc2ccnc(Cl)c2)ccc2ccccc12.
What is the InChIKey of 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde?
The InChIKey is IUKRJFRQNSRBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrClN2O2S/c20-19-23-17(18(26-19)25-12-7-8-22-16(21)9-12)14-6-5-11-3-1-2-4-13(11)15(14)10-24/h1-10H.
What are the key properties of 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde?
2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde has a molecular weight of 445.73 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 170165844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).