5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid

C8H7FN2O4 — CID 131871682

IUPAC5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
SMILESNC(C(=O)O)c1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C8H7FN2O4/c9-4-1-3(5(10)7(12)13)2-11-6(4)8(14)15/h1-2,5H,10H2,(H,12,13)(H,14,15)
InChIKeyNSTQBJTYHCOHJU-UHFFFAOYSA-N
MW214.15 g/mol
LogP0.00
Rot. Bonds3

About 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid

5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid (PubChem CID 131871682) has the molecular formula C8H7FN2O4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
PubChem CID131871682
Molecular FormulaC8H7FN2O4
Molecular Weight214.15 g/mol
Exact Mass214.04
IUPAC Name5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
SMILESNC(C(=O)O)c1cnc(C(=O)O)c(F)c1
InChIInChI=1S/C8H7FN2O4/c9-4-1-3(5(10)7(12)13)2-11-6(4)8(14)15/h1-2,5H,10H2,(H,12,13)(H,14,15)
InChIKeyNSTQBJTYHCOHJU-UHFFFAOYSA-N
XLogP0.00
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-aminopropyl]-3-fluoropyridine-2-carboxylic acid
CID 131052205
5-[(1S)-1-aminoprop-2-enyl]-3-fluoropyridine-2-carboxylic acid
CID 131026111
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
2-amino-2-(3-amino-4,5-difluorophenyl)acetic acid
CID 117115072
5-[(S)-amino(carboxy)methyl]pyridine-2-carboxylic acid
CID 130679702
2-amino-2-(5,6,7,8-tetrahydroquinolin-3-yl)acetic acid
CID 83833341
(2S)-2-amino-2-(5-hydroxy-3-pyridinyl)acetic acid
CID 130688453
(2R)-2-amino-2-(5-hydroxy-3-pyridinyl)acetic acid
CID 130624933
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
3-(aminomethyl)-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098067

Frequently Asked Questions

What is the IUPAC name of 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid (CID 131871682) is 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid is NC(C(=O)O)c1cnc(C(=O)O)c(F)c1.
What is the InChIKey of 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid?
The InChIKey is NSTQBJTYHCOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O4/c9-4-1-3(5(10)7(12)13)2-11-6(4)8(14)15/h1-2,5H,10H2,(H,12,13)(H,14,15).
What are the key properties of 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid?
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid has a molecular weight of 214.15 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 131871682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).