[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid

C10H10ClN6O3P — CID 19695860

IUPAC[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid
SMILESO=P(O)(O)c1nc2cc(Cl)ccn2c1CCc1nn[nH]n1
InChIInChI=1S/C10H10ClN6O3P/c11-6-3-4-17-7(1-2-8-13-15-16-14-8)10(21(18,19)20)12-9(17)5-6/h3-5H,1-2H2,(H2,18,19,20)(H,13,14,15,16)
InChIKeyYDQPRMDNYLIOHM-UHFFFAOYSA-N
MW328.66 g/mol
LogP0.09
Rot. Bonds4

About [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid

[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid (PubChem CID 19695860) has the molecular formula C10H10ClN6O3P and a molecular weight of 328.66 g/mol. Its IUPAC name is [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid.

Molecular Properties

Compound Name[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid
PubChem CID19695860
Molecular FormulaC10H10ClN6O3P
Molecular Weight328.66 g/mol
Exact Mass328.02
IUPAC Name[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid
SMILESO=P(O)(O)c1nc2cc(Cl)ccn2c1CCc1nn[nH]n1
InChIInChI=1S/C10H10ClN6O3P/c11-6-3-4-17-7(1-2-8-13-15-16-14-8)10(21(18,19)20)12-9(17)5-6/h3-5H,1-2H2,(H2,18,19,20)(H,13,14,15,16)
InChIKeyYDQPRMDNYLIOHM-UHFFFAOYSA-N
XLogP0.09
TPSA129.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.66
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
The IUPAC name of [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid (CID 19695860) is [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid.
What is the SMILES notation for [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
The canonical SMILES for [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid is O=P(O)(O)c1nc2cc(Cl)ccn2c1CCc1nn[nH]n1.
What is the InChIKey of [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
The InChIKey is YDQPRMDNYLIOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN6O3P/c11-6-3-4-17-7(1-2-8-13-15-16-14-8)10(21(18,19)20)12-9(17)5-6/h3-5H,1-2H2,(H2,18,19,20)(H,13,14,15,16).
What are the key properties of [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid?
[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid has a molecular weight of 328.66 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid is sourced from PubChem (CID 19695860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).