3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid

C8H8F2N2O2 — CID 130098061

IUPAC3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1c(C(=O)O)ccnc1C(F)F
InChIInChI=1S/C8H8F2N2O2/c9-7(10)6-5(3-11)4(8(13)14)1-2-12-6/h1-2,7H,3,11H2,(H,13,14)
InChIKeyHXBXRRWWOURISG-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.18
Rot. Bonds3

About 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid

3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid (PubChem CID 130098061) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
PubChem CID130098061
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid
SMILESNCc1c(C(=O)O)ccnc1C(F)F
InChIInChI=1S/C8H8F2N2O2/c9-7(10)6-5(3-11)4(8(13)14)1-2-12-6/h1-2,7H,3,11H2,(H,13,14)
InChIKeyHXBXRRWWOURISG-UHFFFAOYSA-N
XLogP1.18
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethyl)-4-methyl-3-pyridinyl]methanamine
CID 130097549
5-(aminomethyl)-6-(difluoromethyl)-4-methoxypyridine-3-carboxylic acid
CID 133085041
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
2-[4-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134683944
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 2-[2-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134673374
2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118816063
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
2-(difluoromethyl)-3-(fluoromethyl)-4-iodopyridine
CID 130096732
2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 118990825
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid (CID 130098061) is 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid is NCc1c(C(=O)O)ccnc1C(F)F.
What is the InChIKey of 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is HXBXRRWWOURISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-7(10)6-5(3-11)4(8(13)14)1-2-12-6/h1-2,7H,3,11H2,(H,13,14).
What are the key properties of 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid?
3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 202.16 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 130098061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).