7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide

C10H6ClN7O2 — CID 21434996

IUPAC7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1c[nH]c2nc(Cl)ccc2c1=O
InChIInChI=1S/C10H6ClN7O2/c11-6-2-1-4-7(19)5(3-12-8(4)13-6)9(20)14-10-15-17-18-16-10/h1-3H,(H,12,13,19)(H2,14,15,16,17,18,20)
InChIKeyIRVFQRNEXKKVFO-UHFFFAOYSA-N
MW291.66 g/mol
LogP0.34
Rot. Bonds2

About 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide

7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 21434996) has the molecular formula C10H6ClN7O2 and a molecular weight of 291.66 g/mol. Its IUPAC name is 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
PubChem CID21434996
Molecular FormulaC10H6ClN7O2
Molecular Weight291.66 g/mol
Exact Mass291.03
IUPAC Name7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1c[nH]c2nc(Cl)ccc2c1=O
InChIInChI=1S/C10H6ClN7O2/c11-6-2-1-4-7(19)5(3-12-8(4)13-6)9(20)14-10-15-17-18-16-10/h1-3H,(H,12,13,19)(H2,14,15,16,17,18,20)
InChIKeyIRVFQRNEXKKVFO-UHFFFAOYSA-N
XLogP0.34
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide (CID 21434996) is 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide is O=C(Nc1nn[nH]n1)c1c[nH]c2nc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is IRVFQRNEXKKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN7O2/c11-6-2-1-4-7(19)5(3-12-8(4)13-6)9(20)14-10-15-17-18-16-10/h1-3H,(H,12,13,19)(H2,14,15,16,17,18,20).
What are the key properties of 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide?
7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 291.66 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-N-(2H-tetrazol-5-yl)-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 21434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).