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

C13H9ClN6O — CID 7693917

IUPAC4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cnccc1Cl
InChIInChI=1S/C13H9ClN6O/c14-12-4-5-15-7-11(12)13(21)17-9-2-1-3-10(6-9)20-8-16-18-19-20/h1-8H,(H,17,21)
InChIKeySNNDKSQHONUYFA-UHFFFAOYSA-N
MW300.71 g/mol
LogP1.96
Rot. Bonds3

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

4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 7693917) has the molecular formula C13H9ClN6O and a molecular weight of 300.71 g/mol. Its IUPAC name is 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID7693917
Molecular FormulaC13H9ClN6O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cnccc1Cl
InChIInChI=1S/C13H9ClN6O/c14-12-4-5-15-7-11(12)13(21)17-9-2-1-3-10(6-9)20-8-16-18-19-20/h1-8H,(H,17,21)
InChIKeySNNDKSQHONUYFA-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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide (CID 7693917) is 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is SNNDKSQHONUYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6O/c14-12-4-5-15-7-11(12)13(21)17-9-2-1-3-10(6-9)20-8-16-18-19-20/h1-8H,(H,17,21).
What are the key properties of 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-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 4-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7693917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).