4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid

C19H13F2N3O3 — CID 5330818

IUPAC4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid
SMILESNc1nc(Nc2ccc(C(=O)O)cc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C19H13F2N3O3/c20-13-2-1-3-14(21)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(5-7-11)19(26)27/h1-9H,(H,26,27)(H3,22,23,24)
InChIKeyCVSDWWDMOFGSDC-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.61
Rot. Bonds5

About 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid

4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid (PubChem CID 5330818) has the molecular formula C19H13F2N3O3 and a molecular weight of 369.33 g/mol. Its IUPAC name is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid
PubChem CID5330818
Molecular FormulaC19H13F2N3O3
Molecular Weight369.33 g/mol
Exact Mass369.09
IUPAC Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid
SMILESNc1nc(Nc2ccc(C(=O)O)cc2)ccc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C19H13F2N3O3/c20-13-2-1-3-14(21)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(5-7-11)19(26)27/h1-9H,(H,26,27)(H3,22,23,24)
InChIKeyCVSDWWDMOFGSDC-UHFFFAOYSA-N
XLogP3.61
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid?
The IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid (CID 5330818) is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid?
The canonical SMILES for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid is Nc1nc(Nc2ccc(C(=O)O)cc2)ccc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid?
The InChIKey is CVSDWWDMOFGSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3/c20-13-2-1-3-14(21)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(5-7-11)19(26)27/h1-9H,(H,26,27)(H3,22,23,24).
What are the key properties of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid?
4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid has a molecular weight of 369.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 5330818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).