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

C13H9FN6O — CID 61295474

IUPAC2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccnc(F)c1
InChIInChI=1S/C13H9FN6O/c14-12-7-9(5-6-15-12)13(21)17-10-1-3-11(4-2-10)20-8-16-18-19-20/h1-8H,(H,17,21)
InChIKeyMPGFLZCABZTWPL-UHFFFAOYSA-N
MW284.25 g/mol
LogP1.45
Rot. Bonds3

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

2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 61295474) has the molecular formula C13H9FN6O and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID61295474
Molecular FormulaC13H9FN6O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccnc(F)c1
InChIInChI=1S/C13H9FN6O/c14-12-7-9(5-6-15-12)13(21)17-10-1-3-11(4-2-10)20-8-16-18-19-20/h1-8H,(H,17,21)
InChIKeyMPGFLZCABZTWPL-UHFFFAOYSA-N
XLogP1.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 51.45
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-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
2-fluoro-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 61293421
methyl 4-[(2-fluoropyridine-4-carbonyl)amino]benzoate
CID 61292895
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
2-fluoro-N-[4-[(R)-methylsulfinyl]phenyl]pyridine-4-carboxamide
CID 96565912
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide (CID 61295474) is 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is MPGFLZCABZTWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN6O/c14-12-7-9(5-6-15-12)13(21)17-10-1-3-11(4-2-10)20-8-16-18-19-20/h1-8H,(H,17,21).
What are the key properties of 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide?
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 284.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 61295474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).