2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid

C10H11ClN2O4 — CID 104571916

IUPAC2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c1-2-3-7(10(14)15)9-8(13(16)17)4-6(11)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyPZSOBVOPEOEVSZ-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.61
Rot. Bonds5

About 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid

2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid (PubChem CID 104571916) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid.

Molecular Properties

Compound Name2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid
PubChem CID104571916
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid
SMILESCCCC(C(=O)O)c1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c1-2-3-7(10(14)15)9-8(13(16)17)4-6(11)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)
InChIKeyPZSOBVOPEOEVSZ-UHFFFAOYSA-N
XLogP2.61
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(5-chloro-3-nitro-2-pyridinyl)-3-phenylpropanoic acid
CID 104571553
2-(5-bromo-3-nitro-2-pyridinyl)butanoic acid
CID 104572111
benzyl N-[3-(5-chloro-3-nitro-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171856292
3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 115747035
2-(3-methyl-5-nitro-2-pyridinyl)butanoic acid
CID 104572156
2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 66278043
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide
CID 133497231
1-[(5-chloro-3-nitro-2-pyridinyl)oxy]propan-2-yl carbamate
CID 175137480
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
2-(5-iodopyrimidin-4-yl)pentanoic acid
CID 104572036
2-(5-chloro-2-nitrophenyl)-4-methylpentanoic acid
CID 113428036

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid?
The IUPAC name of 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid (CID 104571916) is 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid.
What is the SMILES notation for 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid?
The canonical SMILES for 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid is CCCC(C(=O)O)c1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid?
The InChIKey is PZSOBVOPEOEVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-3-7(10(14)15)9-8(13(16)17)4-6(11)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid?
2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid has a molecular weight of 258.66 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-nitro-2-pyridinyl)pentanoic acid is sourced from PubChem (CID 104571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).