N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C17H10ClF3N4O3 — CID 126090826

IUPACN-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C17H10ClF3N4O3/c18-11-2-4-13(14(7-11)25(26)27)15-5-3-12(28-15)9-23-24-16-6-1-10(8-22-16)17(19,20)21/h1-9H,(H,22,24)/b23-9-
InChIKeyCVVXLWMDXIKSSI-AQHIEDMUSA-N
MW410.74 g/mol
LogP5.37
Rot. Bonds5

About N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126090826) has the molecular formula C17H10ClF3N4O3 and a molecular weight of 410.74 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126090826
Molecular FormulaC17H10ClF3N4O3
Molecular Weight410.74 g/mol
Exact Mass410.04
IUPAC NameN-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C17H10ClF3N4O3/c18-11-2-4-13(14(7-11)25(26)27)15-5-3-12(28-15)9-23-24-16-6-1-10(8-22-16)17(19,20)21/h1-9H,(H,22,24)/b23-9-
InChIKeyCVVXLWMDXIKSSI-AQHIEDMUSA-N
XLogP5.37
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.74
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(2,4-dichloro-5-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126115191
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109835
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126045435
[[5-[2-nitro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]thiourea
CID 2804039
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126113442
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126100606
N'-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351695
2-(4-chloroanilino)-N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126369010
4-bromo-2-nitro-6-[(E)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 137043402
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 6063608

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126090826) is N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N\Nc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CVVXLWMDXIKSSI-AQHIEDMUSA-N. The full InChI is InChI=1S/C17H10ClF3N4O3/c18-11-2-4-13(14(7-11)25(26)27)15-5-3-12(28-15)9-23-24-16-6-1-10(8-22-16)17(19,20)21/h1-9H,(H,22,24)/b23-9-.
What are the key properties of N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 410.74 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126090826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).