2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide

C9H8Cl2N6O — CID 114918317

IUPAC2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1nn[nH]n1
InChIInChI=1S/C9H8Cl2N6O/c1-4(8-14-16-17-15-8)13-9(18)5-2-7(11)12-3-6(5)10/h2-4H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyLKMYALZWRVSVSI-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.39
Rot. Bonds3

About 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114918317) has the molecular formula C9H8Cl2N6O and a molecular weight of 287.11 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID114918317
Molecular FormulaC9H8Cl2N6O
Molecular Weight287.11 g/mol
Exact Mass286.01
IUPAC Name2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)ncc1Cl)c1nn[nH]n1
InChIInChI=1S/C9H8Cl2N6O/c1-4(8-14-16-17-15-8)13-9(18)5-2-7(11)12-3-6(5)10/h2-4H,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyLKMYALZWRVSVSI-UHFFFAOYSA-N
XLogP1.39
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.39
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

5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
6-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 62174233
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
3-bromo-5-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 107939725

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide (CID 114918317) is 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)ncc1Cl)c1nn[nH]n1.
What is the InChIKey of 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is LKMYALZWRVSVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N6O/c1-4(8-14-16-17-15-8)13-9(18)5-2-7(11)12-3-6(5)10/h2-4H,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 287.11 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114918317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).