7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one

C11H10ClNO3 — CID 141271593

IUPAC7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one
SMILESCc1c(CO)c2cc(Cl)c(N)cc2oc1=O
InChIInChI=1S/C11H10ClNO3/c1-5-7(4-14)6-2-8(12)9(13)3-10(6)16-11(5)15/h2-3,14H,4,13H2,1H3
InChIKeyQZFDGXHARKLOQV-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.83
Rot. Bonds1

About 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one

7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one (PubChem CID 141271593) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one.

Molecular Properties

Compound Name7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one
PubChem CID141271593
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one
SMILESCc1c(CO)c2cc(Cl)c(N)cc2oc1=O
InChIInChI=1S/C11H10ClNO3/c1-5-7(4-14)6-2-8(12)9(13)3-10(6)16-11(5)15/h2-3,14H,4,13H2,1H3
InChIKeyQZFDGXHARKLOQV-UHFFFAOYSA-N
XLogP1.83
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one
CID 707707
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CID 129286728
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
2-(3,6-dichloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 23986916
ethyl (2R)-2-(3,6-dichloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 681430
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
CID 91636106
(6-chloro-3,4-dimethyl-2-oxochromen-7-yl) thiophene-2-carboxylate
CID 1121158
6-chloro-3-hexyl-4-methyl-7-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 40545511
(3-benzyl-6-chloro-4-methyl-2-oxochromen-7-yl) N,N-dimethylcarbamate
CID 21024393
6-chloro-3-hexyl-4-methyl-7-[(2R)-3-oxobutan-2-yl]oxychromen-2-one
CID 40545512
6-chloro-3-[(2,6-dichlorophenyl)methyl]-4-methylchromen-2-one
CID 91543983
(6-chloro-3,4-dimethyl-2-oxochromen-7-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 3715301

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one?
The IUPAC name of 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one (CID 141271593) is 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one.
What is the SMILES notation for 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one?
The canonical SMILES for 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one is Cc1c(CO)c2cc(Cl)c(N)cc2oc1=O.
What is the InChIKey of 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one?
The InChIKey is QZFDGXHARKLOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-5-7(4-14)6-2-8(12)9(13)3-10(6)16-11(5)15/h2-3,14H,4,13H2,1H3.
What are the key properties of 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one?
7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one has a molecular weight of 239.66 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-chloro-4-(hydroxymethyl)-3-methylchromen-2-one is sourced from PubChem (CID 141271593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).