[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid

C8H6ClN6O3P — CID 19701484

IUPAC[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid
SMILESO=P(O)(O)c1cn2c(-c3nn[nH]n3)c(Cl)ccc2n1
InChIInChI=1S/C8H6ClN6O3P/c9-4-1-2-5-10-6(19(16,17)18)3-15(5)7(4)8-11-13-14-12-8/h1-3H,(H2,16,17,18)(H,11,12,13,14)
InChIKeyATFUQDRQVLRURX-UHFFFAOYSA-N
MW300.60 g/mol
LogP-0.03
Rot. Bonds2

About [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid

[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid (PubChem CID 19701484) has the molecular formula C8H6ClN6O3P and a molecular weight of 300.60 g/mol. Its IUPAC name is [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid.

Molecular Properties

Compound Name[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid
PubChem CID19701484
Molecular FormulaC8H6ClN6O3P
Molecular Weight300.60 g/mol
Exact Mass299.99
IUPAC Name[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid
SMILESO=P(O)(O)c1cn2c(-c3nn[nH]n3)c(Cl)ccc2n1
InChIInChI=1S/C8H6ClN6O3P/c9-4-1-2-5-10-6(19(16,17)18)3-15(5)7(4)8-11-13-14-12-8/h1-3H,(H2,16,17,18)(H,11,12,13,14)
InChIKeyATFUQDRQVLRURX-UHFFFAOYSA-N
XLogP-0.03
TPSA129.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.60
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
The IUPAC name of [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid (CID 19701484) is [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid.
What is the SMILES notation for [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
The canonical SMILES for [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid is O=P(O)(O)c1cn2c(-c3nn[nH]n3)c(Cl)ccc2n1.
What is the InChIKey of [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
The InChIKey is ATFUQDRQVLRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN6O3P/c9-4-1-2-5-10-6(19(16,17)18)3-15(5)7(4)8-11-13-14-12-8/h1-3H,(H2,16,17,18)(H,11,12,13,14).
What are the key properties of [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
[6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid has a molecular weight of 300.60 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-5-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]phosphonic acid is sourced from PubChem (CID 19701484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).