1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol

C10H14ClN3O3 — CID 103888980

IUPAC1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H14ClN3O3/c1-2-8(15)3-4-12-10-6-7(14(16)17)5-9(11)13-10/h5-6,8,15H,2-4H2,1H3,(H,12,13)
InChIKeyFDJZXLINBMLCDP-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.22
Rot. Bonds6

About 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol

1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol (PubChem CID 103888980) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
PubChem CID103888980
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H14ClN3O3/c1-2-8(15)3-4-12-10-6-7(14(16)17)5-9(11)13-10/h5-6,8,15H,2-4H2,1H3,(H,12,13)
InChIKeyFDJZXLINBMLCDP-UHFFFAOYSA-N
XLogP2.22
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.22
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

2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
1-[(6-chloro-4-nitro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 113346459
N-(6-chloro-4-nitro-2-pyridinyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103911726
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
6-chloro-4-nitro-N-(5,5,5-trifluoropentyl)pyridin-2-amine
CID 103889013
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 114156345
2-[(6-chloro-4-nitro-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 103888758
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
6-chloro-4-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103888685

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol?
The IUPAC name of 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol (CID 103888980) is 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol?
The canonical SMILES for 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol is CCC(O)CCNc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol?
The InChIKey is FDJZXLINBMLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-2-8(15)3-4-12-10-6-7(14(16)17)5-9(11)13-10/h5-6,8,15H,2-4H2,1H3,(H,12,13).
What are the key properties of 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol?
1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol has a molecular weight of 259.69 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-3-ol is sourced from PubChem (CID 103888980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).