(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol

C13H15N3O — CID 64832179

IUPAC(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
SMILESCc1ccnc(N)c1C(O)c1ccccc1N
InChIInChI=1S/C13H15N3O/c1-8-6-7-16-13(15)11(8)12(17)9-4-2-3-5-10(9)14/h2-7,12,17H,14H2,1H3,(H2,15,16)
InChIKeySZBHTGNNHCCTMM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.64
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol

(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol (PubChem CID 64832179) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
PubChem CID64832179
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
SMILESCc1ccnc(N)c1C(O)c1ccccc1N
InChIInChI=1S/C13H15N3O/c1-8-6-7-16-13(15)11(8)12(17)9-4-2-3-5-10(9)14/h2-7,12,17H,14H2,1H3,(H2,15,16)
InChIKeySZBHTGNNHCCTMM-UHFFFAOYSA-N
XLogP1.64
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol (CID 64832179) is (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol is Cc1ccnc(N)c1C(O)c1ccccc1N.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol?
The InChIKey is SZBHTGNNHCCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-6-7-16-13(15)11(8)12(17)9-4-2-3-5-10(9)14/h2-7,12,17H,14H2,1H3,(H2,15,16).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol?
(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol has a molecular weight of 229.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol is sourced from PubChem (CID 64832179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).