3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid

C8H8F2N2O2 — CID 130098067

IUPAC3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNCc1cc(C(F)F)cnc1C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-7(10)5-1-4(2-11)6(8(13)14)12-3-5/h1,3,7H,2,11H2,(H,13,14)
InChIKeyNTCGWOPMTXKEHM-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.18
Rot. Bonds3

About 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid

3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130098067) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130098067
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESNCc1cc(C(F)F)cnc1C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-7(10)5-1-4(2-11)6(8(13)14)12-3-5/h1,3,7H,2,11H2,(H,13,14)
InChIKeyNTCGWOPMTXKEHM-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

4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130095901
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
5-(difluoromethyl)pyrimidine-2-carboxylic acid
CID 131194647
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
CID 131052205
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid (CID 130098067) is 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid is NCc1cc(C(F)F)cnc1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is NTCGWOPMTXKEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-7(10)5-1-4(2-11)6(8(13)14)12-3-5/h1,3,7H,2,11H2,(H,13,14).
What are the key properties of 3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid?
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-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)-5-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130098067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).