(3-fluoro-2-nitrophenyl)methanol

C7H6FNO3 — CID 57368636

IUPAC(3-fluoro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1c(F)cccc1CO
InChIInChI=1S/C7H6FNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2
InChIKeyMMKNOYTVACESCK-UHFFFAOYSA-N
MW171.13 g/mol
LogP1.23
Rot. Bonds2

About (3-fluoro-2-nitrophenyl)methanol

(3-fluoro-2-nitrophenyl)methanol (PubChem CID 57368636) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is (3-fluoro-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-nitrophenyl)methanol
PubChem CID57368636
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name(3-fluoro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1c(F)cccc1CO
InChIInChI=1S/C7H6FNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2
InChIKeyMMKNOYTVACESCK-UHFFFAOYSA-N
XLogP1.23
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
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

(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 131869126
1-bromo-3-(3-fluoro-2-nitrophenyl)propan-2-one
CID 134616625
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
(2-nitrophenyl)methanol
CID 11923
2-bromo-1-(3-fluoro-2-nitrophenyl)ethanone
CID 99770306
3-(3-fluoro-2-nitrophenyl)sulfanylpropan-1-ol
CID 66113168
(3,4-dimethyl-2-nitrophenyl)methanol
CID 130867143
[2-(3-methoxy-2-nitrophenoxy)phenyl]methanol
CID 107713464
2-(3-fluoro-2-nitroanilino)propan-1-ol
CID 60789950
7-fluoro-3-nitro-1-benzothiophen-2-ol
CID 131196131
[2-nitro-3,4-bis(trifluoromethyl)phenyl]methanol
CID 134638914

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-nitrophenyl)methanol?
The IUPAC name of (3-fluoro-2-nitrophenyl)methanol (CID 57368636) is (3-fluoro-2-nitrophenyl)methanol.
What is the SMILES notation for (3-fluoro-2-nitrophenyl)methanol?
The canonical SMILES for (3-fluoro-2-nitrophenyl)methanol is O=[N+]([O-])c1c(F)cccc1CO.
What is the InChIKey of (3-fluoro-2-nitrophenyl)methanol?
The InChIKey is MMKNOYTVACESCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-6-3-1-2-5(4-10)7(6)9(11)12/h1-3,10H,4H2.
What are the key properties of (3-fluoro-2-nitrophenyl)methanol?
(3-fluoro-2-nitrophenyl)methanol has a molecular weight of 171.13 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-nitrophenyl)methanol is sourced from PubChem (CID 57368636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).