2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol

C8H9ClN2O4 — CID 156566047

IUPAC2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol
SMILESO=[N+]([O-])c1cnc(C(CO)CO)c(Cl)c1
InChIInChI=1S/C8H9ClN2O4/c9-7-1-6(11(14)15)2-10-8(7)5(3-12)4-13/h1-2,5,12-13H,3-4H2
InChIKeyGHFYRQZCRMXURT-UHFFFAOYSA-N
MW232.62 g/mol
LogP0.71
Rot. Bonds4

About 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol

2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol (PubChem CID 156566047) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol
PubChem CID156566047
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol
SMILESO=[N+]([O-])c1cnc(C(CO)CO)c(Cl)c1
InChIInChI=1S/C8H9ClN2O4/c9-7-1-6(11(14)15)2-10-8(7)5(3-12)4-13/h1-2,5,12-13H,3-4H2
InChIKeyGHFYRQZCRMXURT-UHFFFAOYSA-N
XLogP0.71
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(3-chloro-5-nitro-2-pyridinyl)propanedioate
CID 19010910
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
4-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 113244218
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
methyl 2-(3-chloro-5-nitro-2-pyridinyl)acetate
CID 118878120
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
CID 169161773
[1-[[(3-chloro-5-nitro-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 103721042
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
1-[(3-chloro-5-nitro-2-pyridinyl)amino]-3-ethylpentan-2-ol
CID 103679852
propan-2-yl 2-[(3-chloro-5-nitro-2-pyridinyl)sulfanyl]acetate
CID 133353855
2-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
2-chloro-3-ethyl-5-nitropyridine
CID 86657225

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol?
The IUPAC name of 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol (CID 156566047) is 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol.
What is the SMILES notation for 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol?
The canonical SMILES for 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol is O=[N+]([O-])c1cnc(C(CO)CO)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol?
The InChIKey is GHFYRQZCRMXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c9-7-1-6(11(14)15)2-10-8(7)5(3-12)4-13/h1-2,5,12-13H,3-4H2.
What are the key properties of 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol?
2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol has a molecular weight of 232.62 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-nitro-2-pyridinyl)propane-1,3-diol is sourced from PubChem (CID 156566047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).