3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol

C10H14ClN3O3 — CID 115747035

IUPAC3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O3/c1-2-8(3-4-15)13-10-9(14(16)17)5-7(11)6-12-10/h5-6,8,15H,2-4H2,1H3,(H,12,13)
InChIKeyCLKOSXTZYCWEAA-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.22
Rot. Bonds6

About 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol

3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol (PubChem CID 115747035) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
PubChem CID115747035
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1ncc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14ClN3O3/c1-2-8(3-4-15)13-10-9(14(16)17)5-7(11)6-12-10/h5-6,8,15H,2-4H2,1H3,(H,12,13)
InChIKeyCLKOSXTZYCWEAA-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 113428647
2-[(5-chloro-3-nitro-2-pyridinyl)amino]-3-hydroxy-N-methylpropanamide
CID 133497231
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046856
2-(1-hydroxypentan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 113240568
5-chloro-N-(3,3-dimethylbutan-2-yl)-3-nitropyridin-2-amine
CID 113269101
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
6-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-nitropyridine-3-carbonitrile
CID 106158109
3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106749647
5-chloro-N-(2-methylbutan-2-yl)-3-nitropyridin-2-amine
CID 115746996
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503
5-chloro-N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-nitropyridin-2-amine
CID 133480750
6-(1-methylsulfanylbutan-2-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472069

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol (CID 115747035) is 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol is CCC(CCO)Nc1ncc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is CLKOSXTZYCWEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c1-2-8(3-4-15)13-10-9(14(16)17)5-7(11)6-12-10/h5-6,8,15H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol?
3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-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 3-[(5-chloro-3-nitro-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 115747035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).