2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol

C14H15N3O3 — CID 63261023

IUPAC2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESO=[N+]([O-])c1cnccc1NC(CO)Cc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-10-12(8-11-4-2-1-3-5-11)16-13-6-7-15-9-14(13)17(19)20/h1-7,9,12,18H,8,10H2,(H,15,16)
InChIKeyCXVWWQXHHRYWTC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.01
Rot. Bonds6

About 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol

2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol (PubChem CID 63261023) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
PubChem CID63261023
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESO=[N+]([O-])c1cnccc1NC(CO)Cc1ccccc1
InChIInChI=1S/C14H15N3O3/c18-10-12(8-11-4-2-1-3-5-11)16-13-6-7-15-9-14(13)17(19)20/h1-7,9,12,18H,8,10H2,(H,15,16)
InChIKeyCXVWWQXHHRYWTC-UHFFFAOYSA-N
XLogP2.01
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.01
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

2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
2-(5-fluoro-2-nitroanilino)-3-phenylpropan-1-ol
CID 63260608
2-(5-bromo-2-nitroanilino)-3-phenylpropan-1-ol
CID 65343602
3-(4-methylphenyl)-2-(2-nitroanilino)propan-1-ol
CID 156674405
methyl 3-hydroxy-2-[(3-nitro-4-pyridinyl)amino]propanoate
CID 62005492
2-(3-amino-4-nitroanilino)-3-phenylpropan-1-ol
CID 106749289
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
2-(3-nitro-4-pyridinyl)-3-phenylpropanoic acid
CID 104571521
N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine
CID 62994861
4-methyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 103703895
4,4-dimethyl-3-[(3-nitro-4-pyridinyl)amino]pentan-1-ol
CID 114177080
(2S)-2-[4-nitro-3-(trifluoromethyl)anilino]-3-phenylpropan-1-ol
CID 11279236

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol (CID 63261023) is 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol is O=[N+]([O-])c1cnccc1NC(CO)Cc1ccccc1.
What is the InChIKey of 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol?
The InChIKey is CXVWWQXHHRYWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-10-12(8-11-4-2-1-3-5-11)16-13-6-7-15-9-14(13)17(19)20/h1-7,9,12,18H,8,10H2,(H,15,16).
What are the key properties of 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol?
2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol has a molecular weight of 273.29 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitro-4-pyridinyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 63261023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).