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

C14H17ClN4O3 — CID 44572075

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESCC1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2C1O
InChIInChI=1S/C14H17ClN4O3/c1-9-6-11(19(21)22)13-17(4-5-18(13)14(9)20)8-10-2-3-12(15)16-7-10/h2-3,7,9,14,20H,4-6,8H2,1H3
InChIKeyYGOWZTFXHHQUBR-UHFFFAOYSA-N
MW324.77 g/mol
LogP1.66
Rot. Bonds3

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

1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (PubChem CID 44572075) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-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-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
PubChem CID44572075
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol
SMILESCC1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2C1O
InChIInChI=1S/C14H17ClN4O3/c1-9-6-11(19(21)22)13-17(4-5-18(13)14(9)20)8-10-2-3-12(15)16-7-10/h2-3,7,9,14,20H,4-6,8H2,1H3
InChIKeyYGOWZTFXHHQUBR-UHFFFAOYSA-N
XLogP1.66
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 51.66
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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Related Compounds

2-Chloro-5-{[(2e)-2-(Nitromethylidene)imidazolidin-1-Yl]methyl}pyridine
CID 6506573
Imidazolidine2nitromethylene16chloro3pyridylmeth
CID 3037418
5-Hydroxyimidacloprid
CID 136241533
Des-5-Propoxy Paichongding-5-ol
CID 16115460
Cycloxaprid
CID 76329516
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3-propylimidazolidin-2-ylidene]nitramide
CID 15065926
2-chloro-5-({(2E)-2-[(2Z)-3-chloro-1,3-dinitroprop-2-enylidene]-3-[(6-chloropyridin-3-yl)methyl]imidazolidin-1-yl}methyl)pyridine
CID 11957277
(1S,8R)-5-[(6-chloropyridin-3-yl)methyl]-7-nitro-11-oxa-2,5-diazatricyclo[6.2.1.02,6]undec-6-ene
CID 45278274
2-Hydroxyethyl 3-[6-[(6-chloro-3-pyridinyl)methyl-ethylamino]-1-methyl-5-nitro-2,4-dihydropyrimidin-3-yl]propanoate
CID 71469615
1-[(6-chloro-3-pyridinyl)methyl]-5-methoxy-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 16115739
1-[(6-chloro-3-pyridinyl)methyl]-5-ethoxy-7-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
CID 16115740
1-((6-Chloropyridin-3-yl)methyl)-8-nitro-7-phenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridin-5-ol
CID 44571771

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-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-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol (CID 44572075) is 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-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-methyl-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-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is CC1CC([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2C1O.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
The InChIKey is YGOWZTFXHHQUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-9-6-11(19(21)22)13-17(4-5-18(13)14(9)20)8-10-2-3-12(15)16-7-10/h2-3,7,9,14,20H,4-6,8H2,1H3.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol?
1-[(6-chloro-3-pyridinyl)methyl]-6-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol has a molecular weight of 324.77 g/mol, XLogP of 1.66, 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-methyl-8-nitro-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridin-5-ol is sourced from PubChem (CID 44572075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).