2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide

C8H6ClF3N4 — CID 176940054

IUPAC2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C8H6ClF3N4/c9-6-1-4(7(14)16-3-13)5(2-15-6)8(10,11)12/h1-3H,(H3,13,14,16)
InChIKeyCKTBJDJAEDRDGK-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.07
Rot. Bonds2

About 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide

2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide (PubChem CID 176940054) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide
PubChem CID176940054
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide
SMILES[H]/N=C/N=C(\N)c1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C8H6ClF3N4/c9-6-1-4(7(14)16-3-13)5(2-15-6)8(10,11)12/h1-3H,(H3,13,14,16)
InChIKeyCKTBJDJAEDRDGK-UHFFFAOYSA-N
XLogP2.07
TPSA75.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide
CID 176940110
2-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]acetaldehyde
CID 146279885
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
2-chloro-4-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
CID 119021738
1-[6-chloro-4-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 139628871
4-[2-chloro-5-(trifluoromethyl)-4-pyridinyl]-3,4-dihydroxybutanamide
CID 171900326
N'-methanimidoyl-4-methyl-2-propan-2-ylbenzenecarboximidamide
CID 166833501
2-chloro-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 53224345
3-chloro-6-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168867581
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-(4,4-difluoropiperidin-1-yl)-N'-methanimidoylpyrimidine-5-carboximidamide
CID 123233690
2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
CID 164939632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide?
The IUPAC name of 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide (CID 176940054) is 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide?
The canonical SMILES for 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide is [H]/N=C/N=C(\N)c1cc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide?
The InChIKey is CKTBJDJAEDRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c9-6-1-4(7(14)16-3-13)5(2-15-6)8(10,11)12/h1-3H,(H3,13,14,16).
What are the key properties of 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide?
2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide has a molecular weight of 250.61 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-methanimidoyl-5-(trifluoromethyl)pyridine-4-carboximidamide is sourced from PubChem (CID 176940054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).