amino-chloro-(furan-2-yl)methanol

C5H6ClNO2 — CID 174473824

IUPACamino-chloro-(furan-2-yl)methanol
SMILESNC(O)(Cl)c1ccco1
InChIInChI=1S/C5H6ClNO2/c6-5(7,8)4-2-1-3-9-4/h1-3,8H,7H2
InChIKeyMOOJKBISRLAHFI-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.58
Rot. Bonds1

About amino-chloro-(furan-2-yl)methanol

amino-chloro-(furan-2-yl)methanol (PubChem CID 174473824) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is amino-chloro-(furan-2-yl)methanol.

Molecular Properties

Compound Nameamino-chloro-(furan-2-yl)methanol
PubChem CID174473824
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Nameamino-chloro-(furan-2-yl)methanol
SMILESNC(O)(Cl)c1ccco1
InChIInChI=1S/C5H6ClNO2/c6-5(7,8)4-2-1-3-9-4/h1-3,8H,7H2
InChIKeyMOOJKBISRLAHFI-UHFFFAOYSA-N
XLogP0.58
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-chloro-(furan-2-yl)methanol?
The IUPAC name of amino-chloro-(furan-2-yl)methanol (CID 174473824) is amino-chloro-(furan-2-yl)methanol.
What is the SMILES notation for amino-chloro-(furan-2-yl)methanol?
The canonical SMILES for amino-chloro-(furan-2-yl)methanol is NC(O)(Cl)c1ccco1.
What is the InChIKey of amino-chloro-(furan-2-yl)methanol?
The InChIKey is MOOJKBISRLAHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c6-5(7,8)4-2-1-3-9-4/h1-3,8H,7H2.
What are the key properties of amino-chloro-(furan-2-yl)methanol?
amino-chloro-(furan-2-yl)methanol has a molecular weight of 147.56 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-chloro-(furan-2-yl)methanol is sourced from PubChem (CID 174473824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).