5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid

C9H10F2N2O3 — CID 133085041

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)cnc(C(F)F)c1CN
InChIInChI=1S/C9H10F2N2O3/c1-16-7-4(2-12)6(8(10)11)13-3-5(7)9(14)15/h3,8H,2,12H2,1H3,(H,14,15)
InChIKeyACSIKLZYLZBXJY-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.18
Rot. Bonds4

About 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid

5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid (PubChem CID 133085041) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
PubChem CID133085041
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
SMILESCOc1c(C(=O)O)cnc(C(F)F)c1CN
InChIInChI=1S/C9H10F2N2O3/c1-16-7-4(2-12)6(8(10)11)13-3-5(7)9(14)15/h3,8H,2,12H2,1H3,(H,14,15)
InChIKeyACSIKLZYLZBXJY-UHFFFAOYSA-N
XLogP1.18
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
CID 118854435
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130098061
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
ethyl 6-(difluoromethyl)-5-hydroxy-4-methoxypyridine-3-carboxylate
CID 133103473
ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134683817
methyl 3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylate
CID 133100847

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid (CID 133085041) is 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid is COc1c(C(=O)O)cnc(C(F)F)c1CN.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid?
The InChIKey is ACSIKLZYLZBXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-7-4(2-12)6(8(10)11)13-3-5(7)9(14)15/h3,8H,2,12H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid?
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid is sourced from PubChem (CID 133085041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).