N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C13H9ClF3N3 — CID 6162877

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2cccc(Cl)c2)nc1
InChIInChI=1S/C13H9ClF3N3/c14-11-3-1-2-9(6-11)7-19-20-12-5-4-10(8-18-12)13(15,16)17/h1-8H,(H,18,20)/b19-7-
InChIKeyCCBYJHURENFCTF-GXHLCREISA-N
MW299.68 g/mol
LogP4.20
Rot. Bonds3

About N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 6162877) has the molecular formula C13H9ClF3N3 and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID6162877
Molecular FormulaC13H9ClF3N3
Molecular Weight299.68 g/mol
Exact Mass299.04
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(N/N=C\c2cccc(Cl)c2)nc1
InChIInChI=1S/C13H9ClF3N3/c14-11-3-1-2-9(6-11)7-19-20-12-5-4-10(8-18-12)13(15,16)17/h1-8H,(H,18,20)/b19-7-
InChIKeyCCBYJHURENFCTF-GXHLCREISA-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

N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
N-(pyridin-4-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 73428568
5-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 18229276
N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134123964
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109835
N-[(Z)-(3-iodo-4-prop-2-enoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126112328
N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 46799583
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126254481
2-[[2,6-dichloro-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 126108267
N-[(2,4-dimethylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 4854807
N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 7933190

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 6162877) is N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(N/N=C\c2cccc(Cl)c2)nc1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CCBYJHURENFCTF-GXHLCREISA-N. The full InChI is InChI=1S/C13H9ClF3N3/c14-11-3-1-2-9(6-11)7-19-20-12-5-4-10(8-18-12)13(15,16)17/h1-8H,(H,18,20)/b19-7-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine 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 N-[(Z)-(3-chlorophenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 6162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).