2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol

C15H16ClN3O3 — CID 133472993

IUPAC2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccnc(NCC(C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16ClN3O3/c1-10-6-7-17-14(13(10)19(21)22)18-9-15(2,20)11-4-3-5-12(16)8-11/h3-8,20H,9H2,1-2H3,(H,17,18)
InChIKeyPMGPAICNCSEIEE-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.27
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol

2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 133472993) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID133472993
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccnc(NCC(C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C15H16ClN3O3/c1-10-6-7-17-14(13(10)19(21)22)18-9-15(2,20)11-4-3-5-12(16)8-11/h3-8,20H,9H2,1-2H3,(H,17,18)
InChIKeyPMGPAICNCSEIEE-UHFFFAOYSA-N
XLogP3.27
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.27
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-chlorophenyl)-1-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133473068
2-(3-chlorophenyl)-1-[(5-nitroquinolin-6-yl)amino]propan-2-ol
CID 133473017
4,4-dimethyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103895848
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
2-(3-chlorophenyl)-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133473010
1-[4-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-nitrophenyl]ethanone
CID 133473129
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 129398707
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
2-(3-chlorophenyl)-1-[[4-(dimethylamino)pyrimidin-2-yl]amino]propan-2-ol
CID 133473147
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol (CID 133472993) is 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol is Cc1ccnc(NCC(C)(O)c2cccc(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is PMGPAICNCSEIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-10-6-7-17-14(13(10)19(21)22)18-9-15(2,20)11-4-3-5-12(16)8-11/h3-8,20H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol?
2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 321.76 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[(4-methyl-3-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 133472993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).