5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C13H9ClF3N3O — CID 25025245

IUPAC5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)c(F)cc1F
InChIInChI=1S/C13H9ClF3N3O/c14-7-2-8(13(19)21)12(18)20(5-7)4-6-1-10(16)11(17)3-9(6)15/h1-3,5,18H,4H2,(H2,19,21)/b18-12-
InChIKeyHREJEWYITXDIDF-PDGQHHTCSA-N
MW315.68 g/mol
LogP2.19
Rot. Bonds3

About 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 25025245) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID25025245
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC Name5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)c(F)cc1F
InChIInChI=1S/C13H9ClF3N3O/c14-7-2-8(13(19)21)12(18)20(5-7)4-6-1-10(16)11(17)3-9(6)15/h1-3,5,18H,4H2,(H2,19,21)/b18-12-
InChIKeyHREJEWYITXDIDF-PDGQHHTCSA-N
XLogP2.19
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-5-chloro-2-iminopyridine-3-carboxamide
CID 1070749
1-Benzyl-5-bromo-2-iminopyridine-3-carboxamide
CID 13442845
5-Chloro-1-(3-chlorobenzyl)-2-imino-1,2-dihydropyridine-3-carboxamide
CID 25025048
5-Chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 25025052
5-Chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide
CID 59151542
5-Chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151543
5-Chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 59151583
5-Chloro-1-[(2-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151610
5-Chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide
CID 59151651
1-Benzyl-2-iminopyridine-3-carboxamide
CID 127046608
1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide
CID 127046766
1-benzyl-5-chloro-2-imino-N,N-dimethylpyridine-3-carboxamide
CID 127047696

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 25025245) is 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)c(F)cc1F.
What is the InChIKey of 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HREJEWYITXDIDF-PDGQHHTCSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c14-7-2-8(13(19)21)12(18)20(5-7)4-6-1-10(16)11(17)3-9(6)15/h1-3,5,18H,4H2,(H2,19,21)/b18-12-.
What are the key properties of 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 315.68 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-[(2,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 25025245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).