1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide

C13H13BrClN3O — CID 68661897

IUPAC1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
SMILESBr.[H]/N=c1/c(C(N)=O)cccn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O.BrH/c14-10-4-1-3-9(7-10)8-17-6-2-5-11(12(17)15)13(16)18;/h1-7,15H,8H2,(H2,16,18);1H/b15-12-;
InChIKeyIDIQEMCCVNAJTE-OBBOLZQKSA-N
MW342.62 g/mol
LogP2.35
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide

1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide (PubChem CID 68661897) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
PubChem CID68661897
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC Name1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
SMILESBr.[H]/N=c1/c(C(N)=O)cccn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H12ClN3O.BrH/c14-10-4-1-3-9(7-10)8-17-6-2-5-11(12(17)15)13(16)18;/h1-7,15H,8H2,(H2,16,18);1H/b15-12-;
InChIKeyIDIQEMCCVNAJTE-OBBOLZQKSA-N
XLogP2.35
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-imino-5-methylpyridine-3-carboxamide;hydrobromide
CID 68661775
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
CID 68662047
1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151609
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
5-chloro-2-imino-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59151603
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68662284
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151571
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 143660736
5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151671
1-[(3-chlorophenyl)methyl]imidazole-4,5-dicarboxamide
CID 122517687
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide (CID 68661897) is 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide is Br.[H]/N=c1/c(C(N)=O)cccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
The InChIKey is IDIQEMCCVNAJTE-OBBOLZQKSA-N. The full InChI is InChI=1S/C13H12ClN3O.BrH/c14-10-4-1-3-9(7-10)8-17-6-2-5-11(12(17)15)13(16)18;/h1-7,15H,8H2,(H2,16,18);1H/b15-12-;.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide?
1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide has a molecular weight of 342.62 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide is sourced from PubChem (CID 68661897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).