6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde

C16H10F2N2O2 — CID 141469337

IUPAC6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
SMILESO=Cc1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C16H10F2N2O2/c17-16(18)11-2-6-15(19-8-11)22-13-4-5-14-10(7-13)1-3-12(9-21)20-14/h1-9,16H
InChIKeyZXRBNHBGTWKDPH-UHFFFAOYSA-N
MW300.26 g/mol
LogP4.17
Rot. Bonds4

About 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde

6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde (PubChem CID 141469337) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
PubChem CID141469337
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
SMILESO=Cc1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1
InChIInChI=1S/C16H10F2N2O2/c17-16(18)11-2-6-15(19-8-11)22-13-4-5-14-10(7-13)1-3-12(9-21)20-14/h1-9,16H
InChIKeyZXRBNHBGTWKDPH-UHFFFAOYSA-N
XLogP4.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 54.17
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

Viquidil
CID 65753
6-Methoxyquinoline-4-carboxaldehyde
CID 219312
Abbv-318
CID 118273623
6-Methoxyquinoline-4-carboxamide
CID 231384
Azetidin-1-yl(6-(3-(piperidin-1-yl)propoxy)quinolin-2-yl)methanone
CID 11617313
2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 54575103
Pde10A-IN-8
CID 56596230
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 77105014
N-(3-hydroxycyclobutyl)-6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinoline-2-carboxamide
CID 118273309
Piperazin-1-yl-[6-[5-(trifluoromethoxy)pyridin-2-yl]oxyquinolin-2-yl]methanone
CID 118273541
Piperazin-1-yl(6-{[5-(trifluoromethyl)pyridin-2-yl]oxy}quinolin-2-yl)methanone
CID 118273680
N-(oxolan-3-yl)-6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinoline-2-carboxamide
CID 118273823

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde (CID 141469337) is 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The canonical SMILES for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde is O=Cc1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1.
What is the InChIKey of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The InChIKey is ZXRBNHBGTWKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-16(18)11-2-6-15(19-8-11)22-13-4-5-14-10(7-13)1-3-12(9-21)20-14/h1-9,16H.
What are the key properties of 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde has a molecular weight of 300.26 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 141469337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).