6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid

C14H13FN2O3 — CID 106905026

IUPAC6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1cc(NCc2cccc(C(=O)O)n2)ccc1F
InChIInChI=1S/C14H13FN2O3/c1-20-13-7-9(5-6-11(13)15)16-8-10-3-2-4-12(17-10)14(18)19/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyCTUPWFHABOWSLJ-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.54
Rot. Bonds5

About 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid

6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid (PubChem CID 106905026) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
PubChem CID106905026
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid
SMILESCOc1cc(NCc2cccc(C(=O)O)n2)ccc1F
InChIInChI=1S/C14H13FN2O3/c1-20-13-7-9(5-6-11(13)15)16-8-10-3-2-4-12(17-10)14(18)19/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyCTUPWFHABOWSLJ-UHFFFAOYSA-N
XLogP2.54
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
6-[(2,4-dimethoxyanilino)methyl]pyridine-2-carboxylic acid
CID 106904347
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567
6-[(3-propan-2-ylanilino)methyl]pyridine-2-carboxylic acid
CID 106904433
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[[4-(dimethylamino)anilino]methyl]pyridine-2-carboxylic acid
CID 106904488
4-fluoro-3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 114839278
3-[(4-fluoro-3-methoxyanilino)methyl]benzamide
CID 114837601
4-fluoro-3-methoxy-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 105022434
4-[(4-fluoro-3-methoxyanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103269179
methyl 5-[(6-bromo-2-pyridinyl)methylamino]-2-fluorobenzoate
CID 115937972
6-[[(3,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904564

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid (CID 106905026) is 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid is COc1cc(NCc2cccc(C(=O)O)n2)ccc1F.
What is the InChIKey of 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid?
The InChIKey is CTUPWFHABOWSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-13-7-9(5-6-11(13)15)16-8-10-3-2-4-12(17-10)14(18)19/h2-7,16H,8H2,1H3,(H,18,19).
What are the key properties of 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid?
6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-3-methoxyanilino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106905026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).