2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

C13H9ClN6O — CID 32696269

IUPAC2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccnc(Cl)c1
InChIInChI=1S/C13H9ClN6O/c14-12-6-9(4-5-15-12)13(21)17-10-2-1-3-11(7-10)20-8-16-18-19-20/h1-8H,(H,17,21)
InChIKeyHKGIDYFXQVFOMU-UHFFFAOYSA-N
MW300.71 g/mol
LogP1.96
Rot. Bonds3

About 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide

2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 32696269) has the molecular formula C13H9ClN6O and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID32696269
Molecular FormulaC13H9ClN6O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccnc(Cl)c1
InChIInChI=1S/C13H9ClN6O/c14-12-6-9(4-5-15-12)13(21)17-10-2-1-3-11(7-10)20-8-16-18-19-20/h1-8H,(H,17,21)
InChIKeyHKGIDYFXQVFOMU-UHFFFAOYSA-N
XLogP1.96
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
N-[2-chloro-5-[[3-(tetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34548469
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 24617889
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 32696269) is 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is HKGIDYFXQVFOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6O/c14-12-6-9(4-5-15-12)13(21)17-10-2-1-3-11(7-10)20-8-16-18-19-20/h1-8H,(H,17,21).
What are the key properties of 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 300.71 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 32696269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).