2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol

C14H14ClN3O3 — CID 133472163

IUPAC2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)(CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-14(19,11-4-2-3-5-12(11)15)9-17-13-7-6-10(8-16-13)18(20)21/h2-8,19H,9H2,1H3,(H,16,17)
InChIKeyUHPRLAUAZNNXTM-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol

2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 133472163) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID133472163
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)(CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3O3/c1-14(19,11-4-2-3-5-12(11)15)9-17-13-7-6-10(8-16-13)18(20)21/h2-8,19H,9H2,1H3,(H,16,17)
InChIKeyUHPRLAUAZNNXTM-UHFFFAOYSA-N
XLogP2.96
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.96
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

N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
3-[[(5-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 62059734
2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133472179
4-[(5-nitro-2-pyridinyl)amino]-2-phenylbutan-2-ol
CID 133495647
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
4-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-3-nitrobenzonitrile
CID 133472159
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-nitropyridin-2-amine
CID 133293288
2-[2-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81311809
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 3289911

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol (CID 133472163) is 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol is CC(O)(CNc1ccc([N+](=O)[O-])cn1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is UHPRLAUAZNNXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-14(19,11-4-2-3-5-12(11)15)9-17-13-7-6-10(8-16-13)18(20)21/h2-8,19H,9H2,1H3,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol?
2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 307.74 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 133472163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).