methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate

C9H10F2N2O2 — CID 134673298

IUPACmethyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(F)F)c1CN
InChIInChI=1S/C9H10F2N2O2/c1-15-9(14)7-4-13-3-6(8(10)11)5(7)2-12/h3-4,8H,2,12H2,1H3
InChIKeyMLCYVVUWIIXBJT-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.26
Rot. Bonds3

About methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate

methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134673298) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134673298
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(F)F)c1CN
InChIInChI=1S/C9H10F2N2O2/c1-15-9(14)7-4-13-3-6(8(10)11)5(7)2-12/h3-4,8H,2,12H2,1H3
InChIKeyMLCYVVUWIIXBJT-UHFFFAOYSA-N
XLogP1.26
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130098444
methyl 4-(difluoromethyl)pyridine-3-carboxylate
CID 97181391
methyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675414
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 134673333
5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 130096481
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 130098054

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate (CID 134673298) is methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1cncc(C(F)F)c1CN.
What is the InChIKey of methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is MLCYVVUWIIXBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-9(14)7-4-13-3-6(8(10)11)5(7)2-12/h3-4,8H,2,12H2,1H3.
What are the key properties of methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate?
methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 216.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134673298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).