2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide

C8H7ClN6O — CID 938393

IUPAC2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCn1nnc(NC(=O)c2cccnc2Cl)n1
InChIInChI=1S/C8H7ClN6O/c1-15-13-8(12-14-15)11-7(16)5-3-2-4-10-6(5)9/h2-4H,1H3,(H,11,13,16)
InChIKeyPREUSEWQFAEACJ-UHFFFAOYSA-N
MW238.64 g/mol
LogP0.51
Rot. Bonds2

About 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide

2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide (PubChem CID 938393) has the molecular formula C8H7ClN6O and a molecular weight of 238.64 g/mol. Its IUPAC name is 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
PubChem CID938393
Molecular FormulaC8H7ClN6O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
SMILESCn1nnc(NC(=O)c2cccnc2Cl)n1
InChIInChI=1S/C8H7ClN6O/c1-15-13-8(12-14-15)11-7(16)5-3-2-4-10-6(5)9/h2-4H,1H3,(H,11,13,16)
InChIKeyPREUSEWQFAEACJ-UHFFFAOYSA-N
XLogP0.51
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 50.51
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

2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
2,3-difluoro-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105381449
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
3-fluoro-2-(methylamino)-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105387045
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525
N-acetyl-2-chloropyridine-3-carboxamide
CID 61215997
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 43547697
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide (CID 938393) is 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide is Cn1nnc(NC(=O)c2cccnc2Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide?
The InChIKey is PREUSEWQFAEACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN6O/c1-15-13-8(12-14-15)11-7(16)5-3-2-4-10-6(5)9/h2-4H,1H3,(H,11,13,16).
What are the key properties of 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide?
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide has a molecular weight of 238.64 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 938393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).