2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide

C15H13Cl2N7O2 — CID 10385934

IUPAC2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
SMILES[H]/N=c1\ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)n1O
InChIInChI=1S/C15H13Cl2N7O2/c16-10-1-3-12(23-8-20-21-22-23)9(5-10)7-19-15(25)6-13-11(17)2-4-14(18)24(13)26/h1-5,8,18,26H,6-7H2,(H,19,25)/b18-14+
InChIKeyFIMPCBLUCZCIBC-NBVRZTHBSA-N
MW394.22 g/mol
LogP1.35
Rot. Bonds5

About 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide

2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide (PubChem CID 10385934) has the molecular formula C15H13Cl2N7O2 and a molecular weight of 394.22 g/mol. Its IUPAC name is 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
PubChem CID10385934
Molecular FormulaC15H13Cl2N7O2
Molecular Weight394.22 g/mol
Exact Mass393.05
IUPAC Name2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide
SMILES[H]/N=c1\ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)n1O
InChIInChI=1S/C15H13Cl2N7O2/c16-10-1-3-12(23-8-20-21-22-23)9(5-10)7-19-15(25)6-13-11(17)2-4-14(18)24(13)26/h1-5,8,18,26H,6-7H2,(H,19,25)/b18-14+
InChIKeyFIMPCBLUCZCIBC-NBVRZTHBSA-N
XLogP1.35
TPSA121.71 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide (CID 10385934) is 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide is [H]/N=c1\ccc(Cl)c(CC(=O)NCc2cc(Cl)ccc2-n2cnnn2)n1O.
What is the InChIKey of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is FIMPCBLUCZCIBC-NBVRZTHBSA-N. The full InChI is InChI=1S/C15H13Cl2N7O2/c16-10-1-3-12(23-8-20-21-22-23)9(5-10)7-19-15(25)6-13-11(17)2-4-14(18)24(13)26/h1-5,8,18,26H,6-7H2,(H,19,25)/b18-14+.
What are the key properties of 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide?
2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 394.22 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-hydroxy-6-imino-2-pyridinyl)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10385934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).