2-(2-chloro-5-nitro-4-pyridinyl)ethanol

C7H7ClN2O3 — CID 87350535

IUPAC2-(2-chloro-5-nitro-4-pyridinyl)ethanol
SMILESO=[N+]([O-])c1cnc(Cl)cc1CCO
InChIInChI=1S/C7H7ClN2O3/c8-7-3-5(1-2-11)6(4-9-7)10(12)13/h3-4,11H,1-2H2
InChIKeyKNZGTTHSZTWIRH-UHFFFAOYSA-N
MW202.60 g/mol
LogP1.18
Rot. Bonds3

About 2-(2-chloro-5-nitro-4-pyridinyl)ethanol

2-(2-chloro-5-nitro-4-pyridinyl)ethanol (PubChem CID 87350535) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-(2-chloro-5-nitro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-5-nitro-4-pyridinyl)ethanol
PubChem CID87350535
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name2-(2-chloro-5-nitro-4-pyridinyl)ethanol
SMILESO=[N+]([O-])c1cnc(Cl)cc1CCO
InChIInChI=1S/C7H7ClN2O3/c8-7-3-5(1-2-11)6(4-9-7)10(12)13/h3-4,11H,1-2H2
InChIKeyKNZGTTHSZTWIRH-UHFFFAOYSA-N
XLogP1.18
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-amino-2-chloro-4-pyridinyl)ethanol
CID 88537888
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol
CID 156503052
6-[2-(2-chloro-5-nitro-4-pyridinyl)ethyl]-3H-indole
CID 161315738
2-(2-nitro-1H-imidazol-5-yl)ethanol
CID 54077026
2-chloro-5-iodo-4-nitropyridine
CID 131211540
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
CID 103855583
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
methyl 2-[(2-chloro-5-nitro-4-pyridinyl)oxy]acetate
CID 118278448
2-(2-chloro-5-methoxy-4-nitrophenyl)ethanol
CID 67469173
2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
CID 103881089
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-nitro-4-pyridinyl)ethanol?
The IUPAC name of 2-(2-chloro-5-nitro-4-pyridinyl)ethanol (CID 87350535) is 2-(2-chloro-5-nitro-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(2-chloro-5-nitro-4-pyridinyl)ethanol?
The canonical SMILES for 2-(2-chloro-5-nitro-4-pyridinyl)ethanol is O=[N+]([O-])c1cnc(Cl)cc1CCO.
What is the InChIKey of 2-(2-chloro-5-nitro-4-pyridinyl)ethanol?
The InChIKey is KNZGTTHSZTWIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c8-7-3-5(1-2-11)6(4-9-7)10(12)13/h3-4,11H,1-2H2.
What are the key properties of 2-(2-chloro-5-nitro-4-pyridinyl)ethanol?
2-(2-chloro-5-nitro-4-pyridinyl)ethanol has a molecular weight of 202.60 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-nitro-4-pyridinyl)ethanol is sourced from PubChem (CID 87350535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).