2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid

C19H16FN3O2 — CID 44592300

IUPAC2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccnc2)n1
InChIInChI=1S/C19H16FN3O2/c1-12-7-15(20)4-5-17(12)22-11-16-8-14(19(24)25)9-18(23-16)13-3-2-6-21-10-13/h2-10,22H,11H2,1H3,(H,24,25)
InChIKeyANUQLOISWFPMCU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.90
Rot. Bonds5

About 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid

2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid (PubChem CID 44592300) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid
PubChem CID44592300
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid
SMILESCc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccnc2)n1
InChIInChI=1S/C19H16FN3O2/c1-12-7-15(20)4-5-17(12)22-11-16-8-14(19(24)25)9-18(23-16)13-3-2-6-21-10-13/h2-10,22H,11H2,1H3,(H,24,25)
InChIKeyANUQLOISWFPMCU-UHFFFAOYSA-N
XLogP3.90
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid (CID 44592300) is 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid is Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(-c2cccnc2)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid?
The InChIKey is ANUQLOISWFPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-7-15(20)4-5-17(12)22-11-16-8-14(19(24)25)9-18(23-16)13-3-2-6-21-10-13/h2-10,22H,11H2,1H3,(H,24,25).
What are the key properties of 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid?
2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylanilino)methyl]-6-pyridin-3-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 44592300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).