2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol

C12H12ClN3O — CID 82059602

IUPAC2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol
SMILESCc1cnc(Nc2cc(Cl)ccc2O)c(N)c1
InChIInChI=1S/C12H12ClN3O/c1-7-4-9(14)12(15-6-7)16-10-5-8(13)2-3-11(10)17/h2-6,17H,14H2,1H3,(H,15,16)
InChIKeyKCBWXIOPWGNOIZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.07
Rot. Bonds2

About 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol

2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol (PubChem CID 82059602) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol.

Molecular Properties

Compound Name2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol
PubChem CID82059602
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol
SMILESCc1cnc(Nc2cc(Cl)ccc2O)c(N)c1
InChIInChI=1S/C12H12ClN3O/c1-7-4-9(14)12(15-6-7)16-10-5-8(13)2-3-11(10)17/h2-6,17H,14H2,1H3,(H,15,16)
InChIKeyKCBWXIOPWGNOIZ-UHFFFAOYSA-N
XLogP3.07
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol?
The IUPAC name of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol (CID 82059602) is 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol.
What is the SMILES notation for 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol?
The canonical SMILES for 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol is Cc1cnc(Nc2cc(Cl)ccc2O)c(N)c1.
What is the InChIKey of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol?
The InChIKey is KCBWXIOPWGNOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-4-9(14)12(15-6-7)16-10-5-8(13)2-3-11(10)17/h2-6,17H,14H2,1H3,(H,15,16).
What are the key properties of 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol?
2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol has a molecular weight of 249.70 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methyl-2-pyridinyl)amino]-4-chlorophenol is sourced from PubChem (CID 82059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).