(5-butyl-4-nitro-2-pyridinyl)methanol

C10H14N2O3 — CID 13154058

IUPAC(5-butyl-4-nitro-2-pyridinyl)methanol
SMILESCCCCc1cnc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-2-3-4-8-6-11-9(7-13)5-10(8)12(14)15/h5-6,13H,2-4,7H2,1H3
InChIKeyZSHAXUKZLMPGDL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.82
Rot. Bonds5

About (5-butyl-4-nitro-2-pyridinyl)methanol

(5-butyl-4-nitro-2-pyridinyl)methanol (PubChem CID 13154058) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (5-butyl-4-nitro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-butyl-4-nitro-2-pyridinyl)methanol
PubChem CID13154058
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(5-butyl-4-nitro-2-pyridinyl)methanol
SMILESCCCCc1cnc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-2-3-4-8-6-11-9(7-13)5-10(8)12(14)15/h5-6,13H,2-4,7H2,1H3
InChIKeyZSHAXUKZLMPGDL-UHFFFAOYSA-N
XLogP1.82
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5-butyl-4-methoxy-2-pyridinyl)methanol
CID 13154061
[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
4-butyl-2-chloro-5-nitrophenol
CID 174519541
5-nitro-4-pentylpyridin-2-amine
CID 67635869
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
2,4-dibutyl-1-nitrobenzene
CID 11207075
1-(5-methyl-4-nitro-2-pyridinyl)butan-2-one
CID 83271487
4-butyl-3,5-dinitrophenol
CID 101292294
2,6-dibutyl-4-nitrophenol
CID 54366619
3-nitro-4-pentylbenzoic acid
CID 70306199
(4-chloro-5-ethyl-2-pyridinyl)methanol
CID 119082270
3-nitro-4-pentylbenzoyl chloride
CID 21484502

Frequently Asked Questions

What is the IUPAC name of (5-butyl-4-nitro-2-pyridinyl)methanol?
The IUPAC name of (5-butyl-4-nitro-2-pyridinyl)methanol (CID 13154058) is (5-butyl-4-nitro-2-pyridinyl)methanol.
What is the SMILES notation for (5-butyl-4-nitro-2-pyridinyl)methanol?
The canonical SMILES for (5-butyl-4-nitro-2-pyridinyl)methanol is CCCCc1cnc(CO)cc1[N+](=O)[O-].
What is the InChIKey of (5-butyl-4-nitro-2-pyridinyl)methanol?
The InChIKey is ZSHAXUKZLMPGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-4-8-6-11-9(7-13)5-10(8)12(14)15/h5-6,13H,2-4,7H2,1H3.
What are the key properties of (5-butyl-4-nitro-2-pyridinyl)methanol?
(5-butyl-4-nitro-2-pyridinyl)methanol has a molecular weight of 210.23 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-4-nitro-2-pyridinyl)methanol is sourced from PubChem (CID 13154058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).