1-(3-nitro-9H-carbazol-2-yl)ethanol

C14H12N2O3 — CID 121268637

IUPAC1-(3-nitro-9H-carbazol-2-yl)ethanol
SMILESCC(O)c1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3/c1-8(17)10-6-13-11(7-14(10)16(18)19)9-4-2-3-5-12(9)15-13/h2-8,15,17H,1H3
InChIKeyNYVKKDZIGKXSBI-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.28
Rot. Bonds2

About 1-(3-nitro-9H-carbazol-2-yl)ethanol

1-(3-nitro-9H-carbazol-2-yl)ethanol (PubChem CID 121268637) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(3-nitro-9H-carbazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-nitro-9H-carbazol-2-yl)ethanol
PubChem CID121268637
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name1-(3-nitro-9H-carbazol-2-yl)ethanol
SMILESCC(O)c1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O3/c1-8(17)10-6-13-11(7-14(10)16(18)19)9-4-2-3-5-12(9)15-13/h2-8,15,17H,1H3
InChIKeyNYVKKDZIGKXSBI-UHFFFAOYSA-N
XLogP3.28
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-(1-hydroxyethyl)-5-nitrobenzene-1,2-diol
CID 121371654
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
4-(1-hydroxyethyl)-3-nitrophenol
CID 143117945
(1S)-1-(4-methyl-2-nitrophenyl)ethanol
CID 155352153
(1R)-1-(5-methyl-2-nitrophenyl)ethanol
CID 144909779
ethane;4-(1-hydroxyethyl)-3-nitrophenol
CID 143117944
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
(1S)-1-(9H-pyrido[3,4-b]indol-3-yl)ethanol
CID 129365033
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
CID 89194362
CID 89194362

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-9H-carbazol-2-yl)ethanol?
The IUPAC name of 1-(3-nitro-9H-carbazol-2-yl)ethanol (CID 121268637) is 1-(3-nitro-9H-carbazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-nitro-9H-carbazol-2-yl)ethanol?
The canonical SMILES for 1-(3-nitro-9H-carbazol-2-yl)ethanol is CC(O)c1cc2[nH]c3ccccc3c2cc1[N+](=O)[O-].
What is the InChIKey of 1-(3-nitro-9H-carbazol-2-yl)ethanol?
The InChIKey is NYVKKDZIGKXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8(17)10-6-13-11(7-14(10)16(18)19)9-4-2-3-5-12(9)15-13/h2-8,15,17H,1H3.
What are the key properties of 1-(3-nitro-9H-carbazol-2-yl)ethanol?
1-(3-nitro-9H-carbazol-2-yl)ethanol has a molecular weight of 256.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-9H-carbazol-2-yl)ethanol is sourced from PubChem (CID 121268637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).