5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride

C12H10Cl2F3N3O2 — CID 68662202

IUPAC5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C12H9ClF3N3O2.ClH/c13-6-3-8(11(18)20)10(17)19(4-6)5-7-1-2-9(21-7)12(14,15)16;/h1-4,17H,5H2,(H2,18,20);1H/b17-10-;
InChIKeyZDIBSAKRSCNDJR-HVHKRRFMSA-N
MW356.13 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride

5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 68662202) has the molecular formula C12H10Cl2F3N3O2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID68662202
Molecular FormulaC12H10Cl2F3N3O2
Molecular Weight356.13 g/mol
Exact Mass355.01
IUPAC Name5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C12H9ClF3N3O2.ClH/c13-6-3-8(11(18)20)10(17)19(4-6)5-7-1-2-9(21-7)12(14,15)16;/h1-4,17H,5H2,(H2,18,20);1H/b17-10-;
InChIKeyZDIBSAKRSCNDJR-HVHKRRFMSA-N
XLogP2.80
TPSA85.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride (CID 68662202) is 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride is Cl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is ZDIBSAKRSCNDJR-HVHKRRFMSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2.ClH/c13-6-3-8(11(18)20)10(17)19(4-6)5-7-1-2-9(21-7)12(14,15)16;/h1-4,17H,5H2,(H2,18,20);1H/b17-10-;.
What are the key properties of 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride?
5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 356.13 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-imino-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 68662202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).