2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline

C13H9ClF3N3 — CID 6015562

IUPAC2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(N/N=C\c2ccccn2)c1
InChIInChI=1S/C13H9ClF3N3/c14-11-5-4-9(13(15,16)17)7-12(11)20-19-8-10-3-1-2-6-18-10/h1-8,20H/b19-8-
InChIKeyAOTSVUUULZPOAV-UWVJOHFNSA-N
MW299.68 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline

2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline (PubChem CID 6015562) has the molecular formula C13H9ClF3N3 and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
PubChem CID6015562
Molecular FormulaC13H9ClF3N3
Molecular Weight299.68 g/mol
Exact Mass299.04
IUPAC Name2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(N/N=C\c2ccccn2)c1
InChIInChI=1S/C13H9ClF3N3/c14-11-5-4-9(13(15,16)17)7-12(11)20-19-8-10-3-1-2-6-18-10/h1-8,20H/b19-8-
InChIKeyAOTSVUUULZPOAV-UWVJOHFNSA-N
XLogP4.20
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 4688997
2-chloro-N-[(3-methylphenyl)methylideneamino]-5-(trifluoromethyl)aniline
CID 3532442
4-chloro-N-(pyridin-2-ylmethylideneamino)aniline
CID 78605778
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-4-methoxyphenol
CID 3287632
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
CID 3312956
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
CID 4662927
4-chloro-5-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)thiophen-2-amine
CID 4536144
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6899887
N-[(2-fluorophenyl)methylideneamino]-6-(trifluoromethyl)quinolin-4-amine
CID 44537131
4-chloro-N-[(E)-[4-(trifluoromethyl)-2-pyridinyl]methylideneamino]benzamide
CID 118855339
4-N,6-N-bis[(E)-pyridin-2-ylmethylideneamino]pyrimidine-2,4,6-triamine
CID 118918788

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline (CID 6015562) is 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(N/N=C\c2ccccn2)c1.
What is the InChIKey of 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline?
The InChIKey is AOTSVUUULZPOAV-UWVJOHFNSA-N. The full InChI is InChI=1S/C13H9ClF3N3/c14-11-5-4-9(13(15,16)17)7-12(11)20-19-8-10-3-1-2-6-18-10/h1-8,20H/b19-8-.
What are the key properties of 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline?
2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline has a molecular weight of 299.68 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-pyridin-2-ylmethylideneamino]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 6015562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).