3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol

C11H16ClN3O3 — CID 106178760

IUPAC3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16ClN3O3/c1-3-11(2,6-7-16)14-10-8(15(17)18)4-5-9(12)13-10/h4-5,16H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyYNDYKLARGBTRCA-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.61
Rot. Bonds6

About 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol

3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol (PubChem CID 106178760) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol
PubChem CID106178760
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol
SMILESCCC(C)(CCO)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16ClN3O3/c1-3-11(2,6-7-16)14-10-8(15(17)18)4-5-9(12)13-10/h4-5,16H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyYNDYKLARGBTRCA-UHFFFAOYSA-N
XLogP2.61
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106179181
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 43500336
3-(4-chloro-5-fluoro-2-nitroanilino)-3-methylpentan-1-ol
CID 106171306
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
3-(4-bromo-2-nitroanilino)-3-methylpentan-1-ol
CID 103768359
6-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 104829509
3-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-3-methylpentan-1-ol
CID 106179085
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
6-chloro-N-(2-ethoxyethyl)-3-nitropyridin-2-amine
CID 43591616

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol?
The IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol (CID 106178760) is 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol?
The canonical SMILES for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol is CCC(C)(CCO)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol?
The InChIKey is YNDYKLARGBTRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c1-3-11(2,6-7-16)14-10-8(15(17)18)4-5-9(12)13-10/h4-5,16H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol?
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol has a molecular weight of 273.72 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol is sourced from PubChem (CID 106178760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).