[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol

C13H18N2O4 — CID 106825796

IUPAC[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
SMILESCc1ccnc(OC2CCC(CO)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-9-6-7-14-13(12(9)15(17)18)19-11-4-2-10(8-16)3-5-11/h6-7,10-11,16H,2-5,8H2,1H3
InChIKeyHMGFDJHHGFZNHN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.23
Rot. Bonds4

About [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol

[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol (PubChem CID 106825796) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
PubChem CID106825796
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
SMILESCc1ccnc(OC2CCC(CO)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-9-6-7-14-13(12(9)15(17)18)19-11-4-2-10(8-16)3-5-11/h6-7,10-11,16H,2-5,8H2,1H3
InChIKeyHMGFDJHHGFZNHN-UHFFFAOYSA-N
XLogP2.23
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-[4-(hydroxymethyl)cyclohexyl]oxy-3-nitropyridine-4-carbonitrile
CID 106825859
N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634395
2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carboxamide
CID 106825881
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane
CID 177336110
2-[4-(hydroxymethyl)cyclohexyl]oxy-5-nitropyridine-3-carbonitrile
CID 106825880
N-(cyclopropylmethyl)-2-[(4-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 133441885
2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
CID 107713600
[4-(4-fluoro-5-methyl-2-nitrophenoxy)cyclohexyl]methanol
CID 106825684
4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 106878594
3-[(4-methyl-3-nitro-2-pyridinyl)oxymethyl]pentan-3-amine
CID 64572343
[4-(4-chloro-2-nitrophenoxy)cyclohexyl]methanol
CID 106825751

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol?
The IUPAC name of [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol (CID 106825796) is [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol.
What is the SMILES notation for [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol?
The canonical SMILES for [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol is Cc1ccnc(OC2CCC(CO)CC2)c1[N+](=O)[O-].
What is the InChIKey of [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol?
The InChIKey is HMGFDJHHGFZNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-6-7-14-13(12(9)15(17)18)19-11-4-2-10(8-16)3-5-11/h6-7,10-11,16H,2-5,8H2,1H3.
What are the key properties of [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol?
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol has a molecular weight of 266.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol is sourced from PubChem (CID 106825796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).