(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol

C9H13N3O3 — CID 28852088

IUPAC(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N3O3/c1-2-7(6-13)11-9-4-3-8(5-10-9)12(14)15/h3-5,7,13H,2,6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyKBEKTNLLGLGMJM-ZETCQYMHSA-N
MW211.22 g/mol
LogP1.17
Rot. Bonds5

About (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol

(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 28852088) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID28852088
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C9H13N3O3/c1-2-7(6-13)11-9-4-3-8(5-10-9)12(14)15/h3-5,7,13H,2,6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyKBEKTNLLGLGMJM-ZETCQYMHSA-N
XLogP1.17
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.17
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

5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 83269513
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
N-[(1S)-1-(4-bromophenyl)propyl]-5-nitropyridin-2-amine
CID 30640848
6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-carbonitrile
CID 51681205
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
2-[[5-(ethylamino)-2-pyridinyl]amino]butan-1-ol
CID 82104378
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol (CID 28852088) is (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol is CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is KBEKTNLLGLGMJM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-7(6-13)11-9-4-3-8(5-10-9)12(14)15/h3-5,7,13H,2,6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol?
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 211.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 28852088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).