methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate

C10H12F2N2O2 — CID 133098702

IUPACmethyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C(F)F)c1CN
InChIInChI=1S/C10H12F2N2O2/c1-5-3-6(9(11)12)7(4-13)8(14-5)10(15)16-2/h3,9H,4,13H2,1-2H3
InChIKeyKIVMDGICQIHNPD-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.57
Rot. Bonds3

About methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate

methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate (PubChem CID 133098702) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
PubChem CID133098702
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Namemethyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(C(F)F)c1CN
InChIInChI=1S/C10H12F2N2O2/c1-5-3-6(9(11)12)7(4-13)8(14-5)10(15)16-2/h3,9H,4,13H2,1-2H3
InChIKeyKIVMDGICQIHNPD-UHFFFAOYSA-N
XLogP1.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]methanamine
CID 130080910
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
methyl 6-amino-3-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106594
methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
methyl 4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134673298
ethyl 2-[4-(difluoromethyl)-6-methyl-2-nitro-3-pyridinyl]acetate
CID 133098653
ethyl 5-(aminomethyl)-6-bromo-4-(difluoromethyl)pyridine-2-carboxylate
CID 134675985
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate (CID 133098702) is methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)cc(C(F)F)c1CN.
What is the InChIKey of methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate?
The InChIKey is KIVMDGICQIHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5-3-6(9(11)12)7(4-13)8(14-5)10(15)16-2/h3,9H,4,13H2,1-2H3.
What are the key properties of methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate?
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate has a molecular weight of 230.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 133098702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).