5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde

C19H15F3N2O2 — CID 169333544

IUPAC5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccc(C=O)o3)cc2)n1
InChIInChI=1S/C19H15F3N2O2/c1-24(2)18-10-14(19(20,21)22)9-16(23-18)12-3-5-13(6-4-12)17-8-7-15(11-25)26-17/h3-11H,1-2H3
InChIKeyAVCRMFRODQZWCC-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.91
Rot. Bonds4

About 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde

5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde (PubChem CID 169333544) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde
PubChem CID169333544
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde
SMILESCN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccc(C=O)o3)cc2)n1
InChIInChI=1S/C19H15F3N2O2/c1-24(2)18-10-14(19(20,21)22)9-16(23-18)12-3-5-13(6-4-12)17-8-7-15(11-25)26-17/h3-11H,1-2H3
InChIKeyAVCRMFRODQZWCC-UHFFFAOYSA-N
XLogP4.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.91
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

2,2,2-trichloro-N-[(E)-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-N-methylacetamide
CID 91654843
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
ethyl N-[(E)-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-N-methylcarbamate
CID 91654845
N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71628222
2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]anilino]ethene-1,1,2-tricarbonitrile
CID 168608075
(4-chlorophenyl) 4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzoate
CID 71628229
ethyl (2R)-2-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenoxy]propanoate
CID 97136488
(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine
CID 97136470
2-[4-(5-formylfuran-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 169334559
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
2-[4-(5-formylfuran-2-yl)phenyl]-6,8-dimethylquinoline-4-carboxylic acid
CID 169333799
N,N-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 71304529

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde (CID 169333544) is 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde is CN(C)c1cc(C(F)(F)F)cc(-c2ccc(-c3ccc(C=O)o3)cc2)n1.
What is the InChIKey of 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde?
The InChIKey is AVCRMFRODQZWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-24(2)18-10-14(19(20,21)22)9-16(23-18)12-3-5-13(6-4-12)17-8-7-15(11-25)26-17/h3-11H,1-2H3.
What are the key properties of 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde?
5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde has a molecular weight of 360.34 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).