[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol

C10H13N3O3 — CID 115731831

IUPAC[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
SMILESO=[N+]([O-])c1cccnc1NC1(CO)CCC1
InChIInChI=1S/C10H13N3O3/c14-7-10(4-2-5-10)12-9-8(13(15)16)3-1-6-11-9/h1,3,6,14H,2,4-5,7H2,(H,11,12)
InChIKeyRGNAAXXNTNDRIW-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.32
Rot. Bonds4

About [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol

[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol (PubChem CID 115731831) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
PubChem CID115731831
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
SMILESO=[N+]([O-])c1cccnc1NC1(CO)CCC1
InChIInChI=1S/C10H13N3O3/c14-7-10(4-2-5-10)12-9-8(13(15)16)3-1-6-11-9/h1,3,6,14H,2,4-5,7H2,(H,11,12)
InChIKeyRGNAAXXNTNDRIW-UHFFFAOYSA-N
XLogP1.32
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.32
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-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545
[1-[(5-methyl-3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731868
3-[(3-nitro-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 64889835
2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 55082636
[1-[(2-chloro-5-nitropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114043278
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
CID 62519209
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
CID 115308946
3-hydroxy-2-[(3-nitro-2-pyridinyl)amino]propanoic acid
CID 82025045
[1-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]cyclohexyl]methanol
CID 104507954

Frequently Asked Questions

What is the IUPAC name of [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol (CID 115731831) is [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol is O=[N+]([O-])c1cccnc1NC1(CO)CCC1.
What is the InChIKey of [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
The InChIKey is RGNAAXXNTNDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-10(4-2-5-10)12-9-8(13(15)16)3-1-6-11-9/h1,3,6,14H,2,4-5,7H2,(H,11,12).
What are the key properties of [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol?
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol has a molecular weight of 223.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol is sourced from PubChem (CID 115731831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).