N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C17H12F4N4 — CID 126077830

IUPACN-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H12F4N4/c18-13-4-6-14(7-5-13)25-9-1-2-15(25)11-23-24-16-8-3-12(10-22-16)17(19,20)21/h1-11H,(H,22,24)/b23-11-
InChIKeyRLFKVRDDDYVXEA-KSEXSDGBSA-N
MW348.30 g/mol
LogP4.48
Rot. Bonds4

About N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 126077830) has the molecular formula C17H12F4N4 and a molecular weight of 348.30 g/mol. Its IUPAC name is N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID126077830
Molecular FormulaC17H12F4N4
Molecular Weight348.30 g/mol
Exact Mass348.10
IUPAC NameN-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFc1ccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H12F4N4/c18-13-4-6-14(7-5-13)25-9-1-2-15(25)11-23-24-16-8-3-12(10-22-16)17(19,20)21/h1-11H,(H,22,24)/b23-11-
InChIKeyRLFKVRDDDYVXEA-KSEXSDGBSA-N
XLogP4.48
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6162877
4-fluoro-N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]benzamide
CID 126029104
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109789
4-fluoro-N-[(1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 3722683
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-5-nitropyridin-2-amine
CID 126026118
N-[(Z)-(4-pyrrolidin-1-ylnaphthalen-1-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126106857

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 126077830) is N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is Fc1ccc(-n2cccc2/C=N\Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RLFKVRDDDYVXEA-KSEXSDGBSA-N. The full InChI is InChI=1S/C17H12F4N4/c18-13-4-6-14(7-5-13)25-9-1-2-15(25)11-23-24-16-8-3-12(10-22-16)17(19,20)21/h1-11H,(H,22,24)/b23-11-.
What are the key properties of N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 348.30 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(4-fluorophenyl)pyrrol-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 126077830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).