[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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Related Compounds

6-Chloro-1H-[1,2,3]triazolo[4,5-b]pyridine
CID 55253488
6,8-Dichloro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165415152
6,8-Dichloro-5-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415321
7-Chloro-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 6413748
6-Chloro-2-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 53578275
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 56781163
N-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 145896877
3-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 4968641
2-(2H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine
CID 19374802
7-chloro-2-(2H-tetrazol-5-yl)-3-(2H-tetrazol-5-ylmethyl)imidazo[1,2-a]pyridine
CID 19695859
[7-chloro-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]phosphonic acid
CID 19695860
7-chloro-2-(2H-tetrazol-5-yl)-3-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine
CID 19695864

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).