(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol

C9H10ClNO2 — CID 71517079

IUPAC(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
SMILESN[C@@H]1c2cc(Cl)ccc2OC[C@@H]1O
InChIInChI=1S/C9H10ClNO2/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-3,7,9,12H,4,11H2/t7-,9+/m0/s1
InChIKeyKXYSZWYACPSBGZ-IONNQARKSA-N
MW199.64 g/mol
LogP1.09
Rot. Bonds

About (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol

(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol (PubChem CID 71517079) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
PubChem CID71517079
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol
SMILESN[C@@H]1c2cc(Cl)ccc2OC[C@@H]1O
InChIInChI=1S/C9H10ClNO2/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-3,7,9,12H,4,11H2/t7-,9+/m0/s1
InChIKeyKXYSZWYACPSBGZ-IONNQARKSA-N
XLogP1.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol (CID 71517079) is (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol is N[C@@H]1c2cc(Cl)ccc2OC[C@@H]1O.
What is the InChIKey of (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is KXYSZWYACPSBGZ-IONNQARKSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-5-1-2-8-6(3-5)9(11)7(12)4-13-8/h1-3,7,9,12H,4,11H2/t7-,9+/m0/s1.
What are the key properties of (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol?
(3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 199.64 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-6-chloro-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 71517079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).