2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide

C14H10Cl2F3N3 — CID 87950496

IUPAC2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H10Cl2F3N3/c15-10-4-2-1-3-9(10)13(20)22-7-12-11(16)5-8(6-21-12)14(17,18)19/h1-6H,7H2,(H2,20,22)
InChIKeyMAQRIXKVLDWBJL-UHFFFAOYSA-N
MW348.16 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide

2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide (PubChem CID 87950496) has the molecular formula C14H10Cl2F3N3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide
PubChem CID87950496
Molecular FormulaC14H10Cl2F3N3
Molecular Weight348.16 g/mol
Exact Mass347.02
IUPAC Name2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide
SMILESN/C(=N\Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H10Cl2F3N3/c15-10-4-2-1-3-9(10)13(20)22-7-12-11(16)5-8(6-21-12)14(17,18)19/h1-6H,7H2,(H2,20,22)
InChIKeyMAQRIXKVLDWBJL-UHFFFAOYSA-N
XLogP4.31
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide
CID 163487133
N'-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-ethoxyiminoethyl]-2-(trifluoromethyl)benzenecarboximidamide
CID 150869454
3-chloro-2-[2-(2-chlorophenyl)ethyl]-5-(trifluoromethyl)pyridine
CID 134966661
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxyethyl]-2-(trifluoromethyl)benzamide
CID 86732539
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]aniline
CID 150376040
3-chloro-2-(pyridin-2-ylsulfanylmethyl)-5-(trifluoromethyl)pyridine
CID 2766735
N-[(2-chlorophenyl)methoxy]-1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]methanimine
CID 53396665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide (CID 87950496) is 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide is N/C(=N\Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide?
The InChIKey is MAQRIXKVLDWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F3N3/c15-10-4-2-1-3-9(10)13(20)22-7-12-11(16)5-8(6-21-12)14(17,18)19/h1-6H,7H2,(H2,20,22).
What are the key properties of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide?
2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide has a molecular weight of 348.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]benzenecarboximidamide is sourced from PubChem (CID 87950496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).