[3-(aminomethyl)-5-nitrophenyl]methanol

C8H10N2O3 — CID 143211941

IUPAC[3-(aminomethyl)-5-nitrophenyl]methanol
SMILESNCc1cc(CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-4-6-1-7(5-11)3-8(2-6)10(12)13/h1-3,11H,4-5,9H2
InChIKeyUIWCRCKCHFIYOP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.55
Rot. Bonds3

About [3-(aminomethyl)-5-nitrophenyl]methanol

[3-(aminomethyl)-5-nitrophenyl]methanol (PubChem CID 143211941) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [3-(aminomethyl)-5-nitrophenyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-5-nitrophenyl]methanol
PubChem CID143211941
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[3-(aminomethyl)-5-nitrophenyl]methanol
SMILESNCc1cc(CO)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-4-6-1-7(5-11)3-8(2-6)10(12)13/h1-3,11H,4-5,9H2
InChIKeyUIWCRCKCHFIYOP-UHFFFAOYSA-N
XLogP0.55
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
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

[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032
(3-methyl-5-nitrophenyl)methanol
CID 14033015
[3-(hydroxymethyl)-5-nitrophenyl]boronic acid
CID 140787923
methyl 3-(hydroxymethyl)-5-nitrobenzoate
CID 10703703
1-nitro-3,5-bis(nitromethyl)benzene
CID 20531408
[3-(2-methoxyethoxy)-5-nitrophenyl]methanol
CID 177331610
O-[(3,5-dinitrophenyl)methyl]hydroxylamine
CID 5191653
[3-(chloromethyl)-5-nitrophenyl]methanol;[3-(chloromethyl)-5-nitrophenyl]methyl methanesulfonate
CID 159308340
[3-(1-methylpyrazol-4-yl)-5-nitrophenyl]methanol
CID 59325579
1-(iodomethyl)-3,5-dinitrobenzene
CID 22609073
bis(propan-1-amine);1,3,5-trinitrobenzene
CID 71444758
nitrobenzene;phenylmethanol
CID 160558550

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-5-nitrophenyl]methanol?
The IUPAC name of [3-(aminomethyl)-5-nitrophenyl]methanol (CID 143211941) is [3-(aminomethyl)-5-nitrophenyl]methanol.
What is the SMILES notation for [3-(aminomethyl)-5-nitrophenyl]methanol?
The canonical SMILES for [3-(aminomethyl)-5-nitrophenyl]methanol is NCc1cc(CO)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-(aminomethyl)-5-nitrophenyl]methanol?
The InChIKey is UIWCRCKCHFIYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-4-6-1-7(5-11)3-8(2-6)10(12)13/h1-3,11H,4-5,9H2.
What are the key properties of [3-(aminomethyl)-5-nitrophenyl]methanol?
[3-(aminomethyl)-5-nitrophenyl]methanol has a molecular weight of 182.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-5-nitrophenyl]methanol is sourced from PubChem (CID 143211941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).