3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid

C14H14N2O3 — CID 79784003

IUPAC3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid
SMILESCc1c(NCc2ccc(O)cn2)cccc1C(=O)O
InChIInChI=1S/C14H14N2O3/c1-9-12(14(18)19)3-2-4-13(9)16-7-10-5-6-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3,(H,18,19)
InChIKeyJEPCQMHWQFOMBY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.41
Rot. Bonds4

About 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid

3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid (PubChem CID 79784003) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid
PubChem CID79784003
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid
SMILESCc1c(NCc2ccc(O)cn2)cccc1C(=O)O
InChIInChI=1S/C14H14N2O3/c1-9-12(14(18)19)3-2-4-13(9)16-7-10-5-6-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3,(H,18,19)
InChIKeyJEPCQMHWQFOMBY-UHFFFAOYSA-N
XLogP2.41
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoate
CID 79782982
6-[(2-phenylanilino)methyl]pyridin-3-ol
CID 79781629
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]benzoic acid
CID 17058216
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzoic acid
CID 66116637
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960
6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
2-methyl-3-(1H-pyrazol-5-ylmethylamino)benzoic acid
CID 43737364
3-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-2-methylbenzoic acid
CID 19624663
6-(anilinomethyl)pyridin-3-ol
CID 79787965
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoic acid
CID 64578617
3-[(3,5-difluorophenyl)methylamino]-2-methylbenzoic acid
CID 106528386
3-[(5-bromo-2-hydroxyphenyl)methylamino]-2-methylbenzoic acid
CID 107737786

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid?
The IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid (CID 79784003) is 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid is Cc1c(NCc2ccc(O)cn2)cccc1C(=O)O.
What is the InChIKey of 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid?
The InChIKey is JEPCQMHWQFOMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-12(14(18)19)3-2-4-13(9)16-7-10-5-6-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3,(H,18,19).
What are the key properties of 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid?
3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-pyridinyl)methylamino]-2-methylbenzoic acid is sourced from PubChem (CID 79784003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).