methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

C9H10F2N2O3 — CID 133102911

IUPACmethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(CN)c(O)cc1C(F)F
InChIInChI=1S/C9H10F2N2O3/c1-16-9(15)7-4(8(10)11)2-6(14)5(3-12)13-7/h2,8,14H,3,12H2,1H3
InChIKeyDDXXEJLWKJLTTB-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.97
Rot. Bonds3

About methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (PubChem CID 133102911) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
PubChem CID133102911
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Namemethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(CN)c(O)cc1C(F)F
InChIInChI=1S/C9H10F2N2O3/c1-16-9(15)7-4(8(10)11)2-6(14)5(3-12)13-7/h2,8,14H,3,12H2,1H3
InChIKeyDDXXEJLWKJLTTB-UHFFFAOYSA-N
XLogP0.97
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Fluorophenyl)-5-methoxy-2-pyridinecarboxylic acid
CID 23657912
5-(Difluoromethoxy)-3-methylpicolinic acid
CID 66666313
5-(Fluoromethoxy)-3-methylpyridine-2-carboxylic acid
CID 66666325
5-Methoxy-3-(trifluoromethyl)picolinic acid
CID 68111324
2-(Difluoromethyl)-3-methoxypyridine-6-carboxylic acid
CID 118848595
5-Methoxy-6-(trifluoromethyl)picolinic acid
CID 129957919
Methyl 5-hydroxy-3-(trifluoromethyl)picolinate
CID 129958478
Ethyl 5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133096829
Methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate
CID 138585058
Methyl 6-(4-fluorophenyl)-5-hydroxypyridine-2-carboxylate
CID 168162041
methyl 3-chloro-5-hydroxy-6-[(2E,4Z)-6,6,6-trifluoro-5-(methylideneamino)hexa-2,4-dien-2-yl]pyridine-2-carboxylate
CID 169609186
Methyl 5-(difluoromethoxy)-3,6-dimethylpyridine-2-carboxylate
CID 172362407

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (CID 133102911) is methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is COC(=O)c1nc(CN)c(O)cc1C(F)F.
What is the InChIKey of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The InChIKey is DDXXEJLWKJLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-9(15)7-4(8(10)11)2-6(14)5(3-12)13-7/h2,8,14H,3,12H2,1H3.
What are the key properties of methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate has a molecular weight of 232.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 133102911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).