2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid

C19H14F2N2O2 — CID 25188384

IUPAC2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(-c3c(F)cccc3F)nc2)c(C(=O)O)c1
InChIInChI=1S/C19H14F2N2O2/c1-11-5-7-16(13(9-11)19(24)25)23-12-6-8-17(22-10-12)18-14(20)3-2-4-15(18)21/h2-10,23H,1H3,(H,24,25)
InChIKeyDOKINZMPCUUVOE-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.78
Rot. Bonds4

About 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 25188384) has the molecular formula C19H14F2N2O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID25188384
Molecular FormulaC19H14F2N2O2
Molecular Weight340.33 g/mol
Exact Mass340.10
IUPAC Name2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2ccc(-c3c(F)cccc3F)nc2)c(C(=O)O)c1
InChIInChI=1S/C19H14F2N2O2/c1-11-5-7-16(13(9-11)19(24)25)23-12-6-8-17(22-10-12)18-14(20)3-2-4-15(18)21/h2-10,23H,1H3,(H,24,25)
InChIKeyDOKINZMPCUUVOE-UHFFFAOYSA-N
XLogP4.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid (CID 25188384) is 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid is Cc1ccc(Nc2ccc(-c3c(F)cccc3F)nc2)c(C(=O)O)c1.
What is the InChIKey of 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is DOKINZMPCUUVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2/c1-11-5-7-16(13(9-11)19(24)25)23-12-6-8-17(22-10-12)18-14(20)3-2-4-15(18)21/h2-10,23H,1H3,(H,24,25).
What are the key properties of 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 340.33 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,6-difluorophenyl)-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 25188384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).