2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol

C10H15N3O3 — CID 62476852

IUPAC2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1cc([N+](=O)[O-])cnc1NC(C)(C)CO
InChIInChI=1S/C10H15N3O3/c1-7-4-8(13(15)16)5-11-9(7)12-10(2,3)6-14/h4-5,14H,6H2,1-3H3,(H,11,12)
InChIKeyASCSIIWOOHCSOE-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol

2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 62476852) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
PubChem CID62476852
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1cc([N+](=O)[O-])cnc1NC(C)(C)CO
InChIInChI=1S/C10H15N3O3/c1-7-4-8(13(15)16)5-11-9(7)12-10(2,3)6-14/h4-5,14H,6H2,1-3H3,(H,11,12)
InChIKeyASCSIIWOOHCSOE-UHFFFAOYSA-N
XLogP1.48
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
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

2,2-difluoro-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 114384478
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
2-methyl-5-[(3-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103858510
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037
2-methyl-2-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 70015455
3-[(3-chloro-5-nitro-2-pyridinyl)amino]-2,2-difluoropropan-1-ol
CID 113462858
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968
3-chloro-N-(2-methylpentan-2-yl)-5-nitropyridin-2-amine
CID 113238793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol (CID 62476852) is 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol is Cc1cc([N+](=O)[O-])cnc1NC(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is ASCSIIWOOHCSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-4-8(13(15)16)5-11-9(7)12-10(2,3)6-14/h4-5,14H,6H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol?
2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 62476852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).