N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C14H10ClFN6O — CID 7465851

IUPACN-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccnc1Cl
InChIInChI=1S/C14H10ClFN6O/c15-13-11(2-1-7-17-13)18-12(23)8-22-20-14(19-21-22)9-3-5-10(16)6-4-9/h1-7H,8H2,(H,18,23)
InChIKeyLQYHLOGANVUUHS-UHFFFAOYSA-N
MW332.73 g/mol
LogP2.17
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7465851) has the molecular formula C14H10ClFN6O and a molecular weight of 332.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7465851
Molecular FormulaC14H10ClFN6O
Molecular Weight332.73 g/mol
Exact Mass332.06
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccnc1Cl
InChIInChI=1S/C14H10ClFN6O/c15-13-11(2-1-7-17-13)18-12(23)8-22-20-14(19-21-22)9-3-5-10(16)6-4-9/h1-7H,8H2,(H,18,23)
InChIKeyLQYHLOGANVUUHS-UHFFFAOYSA-N
XLogP2.17
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 52.17
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-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465951
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(8-methylquinolin-5-yl)acetamide
CID 112812582
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-yl-3-pyridinyl)acetamide
CID 55979042
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7713296
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 7465851) is N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is LQYHLOGANVUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN6O/c15-13-11(2-1-7-17-13)18-12(23)8-22-20-14(19-21-22)9-3-5-10(16)6-4-9/h1-7H,8H2,(H,18,23).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 332.73 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).