2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide

C15H12Cl2F3N3 — CID 163487133

IUPAC2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H12Cl2F3N3/c1-8-3-2-4-10(16)13(8)14(21)23-7-12-11(17)5-9(6-22-12)15(18,19)20/h2-6H,7H2,1H3,(H2,21,23)
InChIKeyCJMXXMVIHLWTIN-UHFFFAOYSA-N
MW362.18 g/mol
LogP4.62
Rot. Bonds3

About 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide

2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide (PubChem CID 163487133) has the molecular formula C15H12Cl2F3N3 and a molecular weight of 362.18 g/mol. Its IUPAC name is 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide
PubChem CID163487133
Molecular FormulaC15H12Cl2F3N3
Molecular Weight362.18 g/mol
Exact Mass361.04
IUPAC Name2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide
SMILESCc1cccc(Cl)c1/C(N)=N/Cc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H12Cl2F3N3/c1-8-3-2-4-10(16)13(8)14(21)23-7-12-11(17)5-9(6-22-12)15(18,19)20/h2-6H,7H2,1H3,(H2,21,23)
InChIKeyCJMXXMVIHLWTIN-UHFFFAOYSA-N
XLogP4.62
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 54.62
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]benzenecarboximidamide
CID 87950496
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
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]-N-methoxyethanimine
CID 3803727
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2,5-dimethylbenzamide
CID 24888327
2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-phenylethanamine
CID 63196526
(2S)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 52756844
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide (CID 163487133) is 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide is Cc1cccc(Cl)c1/C(N)=N/Cc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide?
The InChIKey is CJMXXMVIHLWTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N3/c1-8-3-2-4-10(16)13(8)14(21)23-7-12-11(17)5-9(6-22-12)15(18,19)20/h2-6H,7H2,1H3,(H2,21,23).
What are the key properties of 2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide?
2-chloro-N'-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylbenzenecarboximidamide has a molecular weight of 362.18 g/mol, XLogP of 4.62, 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]-6-methylbenzenecarboximidamide is sourced from PubChem (CID 163487133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).