(4-chloro-5-fluoro-2-nitrophenyl)methanol

C7H5ClFNO3 — CID 91619131

IUPAC(4-chloro-5-fluoro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(Cl)c(F)cc1CO
InChIInChI=1S/C7H5ClFNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-2,11H,3H2
InChIKeyXHAVNCQIPVLLDN-UHFFFAOYSA-N
MW205.57 g/mol
LogP1.88
Rot. Bonds2

About (4-chloro-5-fluoro-2-nitrophenyl)methanol

(4-chloro-5-fluoro-2-nitrophenyl)methanol (PubChem CID 91619131) has the molecular formula C7H5ClFNO3 and a molecular weight of 205.57 g/mol. Its IUPAC name is (4-chloro-5-fluoro-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-5-fluoro-2-nitrophenyl)methanol
PubChem CID91619131
Molecular FormulaC7H5ClFNO3
Molecular Weight205.57 g/mol
Exact Mass204.99
IUPAC Name(4-chloro-5-fluoro-2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(Cl)c(F)cc1CO
InChIInChI=1S/C7H5ClFNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-2,11H,3H2
InChIKeyXHAVNCQIPVLLDN-UHFFFAOYSA-N
XLogP1.88
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.57
LogP ≤ 51.88
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

1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
(4-bromo-5-chloro-2-nitrophenyl)methanol
CID 131289970
(5-chloro-4-iodo-2-nitrophenyl)methanol
CID 171007120
(2,4,5-trinitrophenyl)methanol
CID 53422846
(2,4-dichloro-5-fluorophenyl)methanol
CID 2774017
(2,4-difluoro-5-nitrophenyl)methanol
CID 43753541
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
1-(4-chloro-5-fluoro-2-nitrophenyl)-N-ethylpropan-2-amine
CID 66076700
4-chloro-2,5-difluoroaniline;1-chloro-2,5-difluoro-4-nitrobenzene;ethanol
CID 158430373
methyl (2S)-2-[(4-chloro-5-fluoro-2-nitrophenyl)methyl-methylamino]propanoate
CID 148613290
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-fluoro-2-nitrophenyl)methanol?
The IUPAC name of (4-chloro-5-fluoro-2-nitrophenyl)methanol (CID 91619131) is (4-chloro-5-fluoro-2-nitrophenyl)methanol.
What is the SMILES notation for (4-chloro-5-fluoro-2-nitrophenyl)methanol?
The canonical SMILES for (4-chloro-5-fluoro-2-nitrophenyl)methanol is O=[N+]([O-])c1cc(Cl)c(F)cc1CO.
What is the InChIKey of (4-chloro-5-fluoro-2-nitrophenyl)methanol?
The InChIKey is XHAVNCQIPVLLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO3/c8-5-2-7(10(12)13)4(3-11)1-6(5)9/h1-2,11H,3H2.
What are the key properties of (4-chloro-5-fluoro-2-nitrophenyl)methanol?
(4-chloro-5-fluoro-2-nitrophenyl)methanol has a molecular weight of 205.57 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-fluoro-2-nitrophenyl)methanol is sourced from PubChem (CID 91619131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).