3-(6-amino-3-pyridinyl)-4-chlorophenol

C11H9ClN2O — CID 56777458

IUPAC3-(6-amino-3-pyridinyl)-4-chlorophenol
SMILESNc1ccc(-c2cc(O)ccc2Cl)cn1
InChIInChI=1S/C11H9ClN2O/c12-10-3-2-8(15)5-9(10)7-1-4-11(13)14-6-7/h1-6,15H,(H2,13,14)
InChIKeyAYVDFXPGWKKBKX-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.69
Rot. Bonds1

About 3-(6-amino-3-pyridinyl)-4-chlorophenol

3-(6-amino-3-pyridinyl)-4-chlorophenol (PubChem CID 56777458) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-4-chlorophenol.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-4-chlorophenol
PubChem CID56777458
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name3-(6-amino-3-pyridinyl)-4-chlorophenol
SMILESNc1ccc(-c2cc(O)ccc2Cl)cn1
InChIInChI=1S/C11H9ClN2O/c12-10-3-2-8(15)5-9(10)7-1-4-11(13)14-6-7/h1-6,15H,(H2,13,14)
InChIKeyAYVDFXPGWKKBKX-UHFFFAOYSA-N
XLogP2.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-(6-methyl-3-pyridinyl)phenol
CID 175413661
2-amino-5-(2-chloro-5-hydroxyphenyl)pyridine-3-carboxylic acid
CID 53223562
4-chloro-3-pyridin-4-ylphenol
CID 46316948
2-chloro-4-(2-chloro-5-hydroxyphenyl)phenol
CID 53221367
4-(5-amino-3-chloro-2-pyridinyl)phenol
CID 136758122
6-chloro-5-(3,4-dichlorophenyl)pyridin-3-ol
CID 119002730
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
CID 146253215
4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol
CID 106500941
bis(3,4-dichlorophenol);zirconium
CID 161397670
4-(3,4-dichlorophenyl)phenol
CID 6452909
4-(6-amino-3-pyridinyl)benzene-1,2-diamine
CID 144882064
5-chloro-4-phenylpyridin-2-amine
CID 53485508

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-4-chlorophenol?
The IUPAC name of 3-(6-amino-3-pyridinyl)-4-chlorophenol (CID 56777458) is 3-(6-amino-3-pyridinyl)-4-chlorophenol.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-4-chlorophenol?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-4-chlorophenol is Nc1ccc(-c2cc(O)ccc2Cl)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-4-chlorophenol?
The InChIKey is AYVDFXPGWKKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-3-2-8(15)5-9(10)7-1-4-11(13)14-6-7/h1-6,15H,(H2,13,14).
What are the key properties of 3-(6-amino-3-pyridinyl)-4-chlorophenol?
3-(6-amino-3-pyridinyl)-4-chlorophenol has a molecular weight of 220.66 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-4-chlorophenol is sourced from PubChem (CID 56777458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).