N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide

C9H11FN2O2 — CID 137382820

IUPACN-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide
SMILESCNCc1c(O)ccc(F)c1NC=O
InChIInChI=1S/C9H11FN2O2/c1-11-4-6-8(14)3-2-7(10)9(6)12-5-13/h2-3,5,11,14H,4H2,1H3,(H,12,13)
InChIKeyIQSAHUFYTCXROU-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.82
Rot. Bonds4

About N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide

N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide (PubChem CID 137382820) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide
PubChem CID137382820
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC NameN-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide
SMILESCNCc1c(O)ccc(F)c1NC=O
InChIInChI=1S/C9H11FN2O2/c1-11-4-6-8(14)3-2-7(10)9(6)12-5-13/h2-3,5,11,14H,4H2,1H3,(H,12,13)
InChIKeyIQSAHUFYTCXROU-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide?
The IUPAC name of N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide (CID 137382820) is N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide.
What is the SMILES notation for N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide?
The canonical SMILES for N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide is CNCc1c(O)ccc(F)c1NC=O.
What is the InChIKey of N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide?
The InChIKey is IQSAHUFYTCXROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-11-4-6-8(14)3-2-7(10)9(6)12-5-13/h2-3,5,11,14H,4H2,1H3,(H,12,13).
What are the key properties of N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide?
N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide has a molecular weight of 198.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-hydroxy-2-(methylaminomethyl)phenyl]formamide is sourced from PubChem (CID 137382820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).