N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide

C8H7ClN6O — CID 110499519

IUPACN-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cccnc1Cl
InChIInChI=1S/C8H7ClN6O/c9-8-5(2-1-3-10-8)11-7(16)4-6-12-14-15-13-6/h1-3H,4H2,(H,11,16)(H,12,13,14,15)
InChIKeyBPQIISOHRODQTM-UHFFFAOYSA-N
MW238.64 g/mol
LogP0.43
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide

N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499519) has the molecular formula C8H7ClN6O and a molecular weight of 238.64 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499519
Molecular FormulaC8H7ClN6O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cccnc1Cl
InChIInChI=1S/C8H7ClN6O/c9-8-5(2-1-3-10-8)11-7(16)4-6-12-14-15-13-6/h1-3H,4H2,(H,11,16)(H,12,13,14,15)
InChIKeyBPQIISOHRODQTM-UHFFFAOYSA-N
XLogP0.43
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499452
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
CID 54910721
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388
N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499510
2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499519) is N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is BPQIISOHRODQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN6O/c9-8-5(2-1-3-10-8)11-7(16)4-6-12-14-15-13-6/h1-3H,4H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 238.64 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).