5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride

C13H12Cl3N3O — CID 68661666

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2N3O.ClH/c14-9-3-1-2-8(4-9)6-18-7-10(15)5-11(12(18)16)13(17)19;/h1-5,7,16H,6H2,(H2,17,19);1H/b16-12-;
InChIKeyUKAGHNGWPLOJDT-PXJKFVASSA-N
MW332.62 g/mol
LogP2.84
Rot. Bonds3

About 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride

5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride (PubChem CID 68661666) has the molecular formula C13H12Cl3N3O and a molecular weight of 332.62 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride
PubChem CID68661666
Molecular FormulaC13H12Cl3N3O
Molecular Weight332.62 g/mol
Exact Mass331.00
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2N3O.ClH/c14-9-3-1-2-8(4-9)6-18-7-10(15)5-11(12(18)16)13(17)19;/h1-5,7,16H,6H2,(H2,17,19);1H/b16-12-;
InChIKeyUKAGHNGWPLOJDT-PXJKFVASSA-N
XLogP2.84
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.62
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride (CID 68661666) is 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride is Cl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
The InChIKey is UKAGHNGWPLOJDT-PXJKFVASSA-N. The full InChI is InChI=1S/C13H11Cl2N3O.ClH/c14-9-3-1-2-8(4-9)6-18-7-10(15)5-11(12(18)16)13(17)19;/h1-5,7,16H,6H2,(H2,17,19);1H/b16-12-;.
What are the key properties of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride?
5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride has a molecular weight of 332.62 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 68661666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).