2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol

C11H14ClN3O3 — CID 103886515

IUPAC2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC2CCCC2O)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-4-8(15(17)18)5-11(14-10)13-6-7-2-1-3-9(7)16/h4-5,7,9,16H,1-3,6H2,(H,13,14)
InChIKeyOSXZAYYKQSDGJI-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.22
Rot. Bonds4

About 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol

2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol (PubChem CID 103886515) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
PubChem CID103886515
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cc(Cl)nc(NCC2CCCC2O)c1
InChIInChI=1S/C11H14ClN3O3/c12-10-4-8(15(17)18)5-11(14-10)13-6-7-2-1-3-9(7)16/h4-5,7,9,16H,1-3,6H2,(H,13,14)
InChIKeyOSXZAYYKQSDGJI-UHFFFAOYSA-N
XLogP2.22
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
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

6-chloro-4-nitro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 113346443
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
2-[[3-nitro-5-(propylamino)anilino]methyl]cyclopentan-1-ol
CID 80832379
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-4-nitropyridin-2-amine
CID 103889009
2-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 103828663
1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997
6-chloro-4-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 103888346
2-[[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80951072
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]-4-nitropyridin-2-amine
CID 103888650
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol (CID 103886515) is 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol is O=[N+]([O-])c1cc(Cl)nc(NCC2CCCC2O)c1.
What is the InChIKey of 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is OSXZAYYKQSDGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-10-4-8(15(17)18)5-11(14-10)13-6-7-2-1-3-9(7)16/h4-5,7,9,16H,1-3,6H2,(H,13,14).
What are the key properties of 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol?
2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 271.70 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103886515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).