1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol

C15H19ClN4O3 — CID 44572078

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESCC1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2C(O)C1C
InChIInChI=1S/C15H19ClN4O3/c1-9-10(2)15(21)19-6-5-18(14(19)13(9)20(22)23)8-11-3-4-12(16)17-7-11/h3-4,7,9-10,15,21H,5-6,8H2,1-2H3
InChIKeyGLGFOGZGPWPWKD-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.90
Rot. Bonds3

About 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol

1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (PubChem CID 44572078) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
PubChem CID44572078
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESCC1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2C(O)C1C
InChIInChI=1S/C15H19ClN4O3/c1-9-10(2)15(21)19-6-5-18(14(19)13(9)20(22)23)8-11-3-4-12(16)17-7-11/h3-4,7,9-10,15,21H,5-6,8H2,1-2H3
InChIKeyGLGFOGZGPWPWKD-UHFFFAOYSA-N
XLogP1.90
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (CID 44572078) is 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is CC1C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2C(O)C1C.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The InChIKey is GLGFOGZGPWPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-9-10(2)15(21)19-6-5-18(14(19)13(9)20(22)23)8-11-3-4-12(16)17-7-11/h3-4,7,9-10,15,21H,5-6,8H2,1-2H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol has a molecular weight of 338.80 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-6,7-dimethyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is sourced from PubChem (CID 44572078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).