1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol

C9H10ClN5O3 — CID 151991476

IUPAC1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol
SMILES[H]/N=C1\C(O)NC([N+](=O)[O-])N1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10ClN5O3/c10-6-2-1-5(3-12-6)4-14-7(11)8(16)13-9(14)15(17)18/h1-3,8-9,11,13,16H,4H2/b11-7+
InChIKeyUETMXXQFKMBHGD-YRNVUSSQSA-N
MW271.66 g/mol
LogP-0.00
Rot. Bonds3

About 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol

1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol (PubChem CID 151991476) has the molecular formula C9H10ClN5O3 and a molecular weight of 271.66 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol
PubChem CID151991476
Molecular FormulaC9H10ClN5O3
Molecular Weight271.66 g/mol
Exact Mass271.05
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol
SMILES[H]/N=C1\C(O)NC([N+](=O)[O-])N1Cc1ccc(Cl)nc1
InChIInChI=1S/C9H10ClN5O3/c10-6-2-1-5(3-12-6)4-14-7(11)8(16)13-9(14)15(17)18/h1-3,8-9,11,13,16H,4H2/b11-7+
InChIKeyUETMXXQFKMBHGD-YRNVUSSQSA-N
XLogP-0.00
TPSA115.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

(NE)-N-[(3aS,7aR)-3-[(6-chloro-3-pyridinyl)methyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-ylidene]nitramide
CID 177457609
1-(6-chloro-3-pyridinyl)-3-methyl-5-nitro-3H-pyrrol-2-imine
CID 174438900
1-[(6-chloro-3-pyridinyl)methyl]-2-iminoimidazolidin-4-one
CID 139597920
N-[(4S,5S)-4,5-bis(4-chlorophenyl)-1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide
CID 135753588
2-chloro-5-[(4-nitroimidazol-1-yl)methyl]pyridine
CID 24696081
2-chloro-5-[[2-[(1Z,4Z)-5-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-yl]-1,5-dinitropenta-1,4-dienyl]imidazolidin-1-yl]methyl]pyridine
CID 141227600
3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethyl)-1,3-thiazolidine
CID 151742069
1-[(6-chloro-3-pyridinyl)methyl]-2-iminopyridin-3-amine
CID 146346220
2-chloro-5-[[(2Z)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)imidazolidin-1-yl]methyl]pyridine
CID 10293375
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-4,4,5,5-tetradeuterioimidazolidin-2-ylidene]nitramide
CID 137183220
N-[1-[(6-chloro-3-pyridinyl)methyl]imidazol-2-yl]nitramide
CID 14626249
N-[3-[(6-chloro-3-pyridinyl)methyl]-5-methyl-1,3,5-oxadiazinan-4-yl]nitramide
CID 58064078

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol (CID 151991476) is 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol is [H]/N=C1\C(O)NC([N+](=O)[O-])N1Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol?
The InChIKey is UETMXXQFKMBHGD-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10ClN5O3/c10-6-2-1-5(3-12-6)4-14-7(11)8(16)13-9(14)15(17)18/h1-3,8-9,11,13,16H,4H2/b11-7+.
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol?
1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol has a molecular weight of 271.66 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl]-5-imino-2-nitroimidazolidin-4-ol is sourced from PubChem (CID 151991476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).