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

C8H10ClN3O3 — CID 43500336

IUPAC2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O3/c1-5(4-13)10-8-6(12(14)15)2-3-7(9)11-8/h2-3,5,13H,4H2,1H3,(H,10,11)
InChIKeyLVARIFDRSHAMHI-UHFFFAOYSA-N
MW231.64 g/mol
LogP1.44
Rot. Bonds4

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

2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 43500336) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
PubChem CID43500336
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Name2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCC(CO)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H10ClN3O3/c1-5(4-13)10-8-6(12(14)15)2-3-7(9)11-8/h2-3,5,13H,4H2,1H3,(H,10,11)
InChIKeyLVARIFDRSHAMHI-UHFFFAOYSA-N
XLogP1.44
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 51.44
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

6-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 104829509
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-4-methoxybutan-1-ol
CID 106162464
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015
6-chloro-N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 63549430
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
N-(6-chloro-3-nitro-2-pyridinyl)ethanesulfonamide
CID 104821414
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
2-(6-chloro-3-nitro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83020190
N-(6-chloro-3-nitro-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 104820352
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106178760

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol (CID 43500336) is 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol is CC(CO)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is LVARIFDRSHAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-5(4-13)10-8-6(12(14)15)2-3-7(9)11-8/h2-3,5,13H,4H2,1H3,(H,10,11).
What are the key properties of 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol?
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 231.64 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 43500336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).