4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid

C9H10F2N2O2 — CID 133098511

IUPAC4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(CN)c(C(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H10F2N2O2/c1-4-2-5(3-12)6(8(10)11)7(13-4)9(14)15/h2,8H,3,12H2,1H3,(H,14,15)
InChIKeyAUYLHZTYWYUHRA-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.48
Rot. Bonds3

About 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid

4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid (PubChem CID 133098511) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
PubChem CID133098511
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(CN)c(C(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H10F2N2O2/c1-4-2-5(3-12)6(8(10)11)7(13-4)9(14)15/h2,8H,3,12H2,1H3,(H,14,15)
InChIKeyAUYLHZTYWYUHRA-UHFFFAOYSA-N
XLogP1.48
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
[2-(difluoromethyl)-3-fluoro-6-methyl-4-pyridinyl]methanamine
CID 118807137
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carboxamide
CID 130081330
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carboxamide
CID 118851007
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
methyl 3-(aminomethyl)-4-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 133098702
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 133084251
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098067
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid (CID 133098511) is 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid is Cc1cc(CN)c(C(F)F)c(C(=O)O)n1.
What is the InChIKey of 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is AUYLHZTYWYUHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-2-5(3-12)6(8(10)11)7(13-4)9(14)15/h2,8H,3,12H2,1H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid?
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 216.19 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 133098511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).