2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid

C19H15ClN2O2 — CID 46847428

IUPAC2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cc(Cl)cnc2-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C19H15ClN2O2/c1-12-7-8-16(15(9-12)19(23)24)22-17-10-14(20)11-21-18(17)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,23,24)
InChIKeyLEDHCZLIAKEJKG-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.15
Rot. Bonds4

About 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid

2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid (PubChem CID 46847428) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
PubChem CID46847428
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
SMILESCc1ccc(Nc2cc(Cl)cnc2-c2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C19H15ClN2O2/c1-12-7-8-16(15(9-12)19(23)24)22-17-10-14(20)11-21-18(17)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,23,24)
InChIKeyLEDHCZLIAKEJKG-UHFFFAOYSA-N
XLogP5.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-6-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid
CID 25186450
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661
2-[[6-(3-methoxyphenyl)-5-phenyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 46847512
2-[[6-(4-carbamoylphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
CID 57479024
2-(4-bromo-2,3-dichloroanilino)-5-methylbenzoic acid
CID 107791139
2-[3-(2-carboxy-4-methylanilino)anilino]-5-methylbenzoic acid
CID 10785748
5-methyl-2-[(5-methyl-6-phenyl-3-pyridinyl)methyl]benzoic acid
CID 58415904
5-methyl-2-(3-methylanilino)benzoic acid
CID 19749262
2-(3-chloro-4-fluoroanilino)-5-methylbenzoic acid
CID 63537148
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
[2-[[6-(2-fluorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoyl] 2-[[6-(3-chlorophenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoate
CID 87441041

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid?
The IUPAC name of 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid (CID 46847428) is 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid is Cc1ccc(Nc2cc(Cl)cnc2-c2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid?
The InChIKey is LEDHCZLIAKEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c1-12-7-8-16(15(9-12)19(23)24)22-17-10-14(20)11-21-18(17)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,23,24).
What are the key properties of 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid?
2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid has a molecular weight of 338.79 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenyl-3-pyridinyl)amino]-5-methylbenzoic acid is sourced from PubChem (CID 46847428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).