4-chloro-2-(pyridin-3-ylamino)phenol

C11H9ClN2O — CID 102179670

IUPAC4-chloro-2-(pyridin-3-ylamino)phenol
SMILESOc1ccc(Cl)cc1Nc1cccnc1
InChIInChI=1S/C11H9ClN2O/c12-8-3-4-11(15)10(6-8)14-9-2-1-5-13-7-9/h1-7,14-15H
InChIKeyHGALMSRDNMRUSS-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.18
Rot. Bonds2

About 4-chloro-2-(pyridin-3-ylamino)phenol

4-chloro-2-(pyridin-3-ylamino)phenol (PubChem CID 102179670) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-2-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name4-chloro-2-(pyridin-3-ylamino)phenol
PubChem CID102179670
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-2-(pyridin-3-ylamino)phenol
SMILESOc1ccc(Cl)cc1Nc1cccnc1
InChIInChI=1S/C11H9ClN2O/c12-8-3-4-11(15)10(6-8)14-9-2-1-5-13-7-9/h1-7,14-15H
InChIKeyHGALMSRDNMRUSS-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)pyridin-3-amine
CID 82536338
4-chloro-2-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127653
2-N-[2-(4-chloroanilino)phenyl]-4-N-pyridin-3-ylbenzene-1,2,4,5-tetramine
CID 71505179
N-(2,3,4-trifluorophenyl)pyridin-3-amine
CID 82537499
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
1-(4-chloro-2-fluorophenyl)-3-pyridin-3-ylthiourea
CID 23882817
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
1-(5-chloro-2-hydroxyphenyl)-3-pyridin-4-ylurea
CID 108892711
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
5-chloro-2-iodo-N-pyridin-3-ylbenzamide
CID 47188812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(pyridin-3-ylamino)phenol?
The IUPAC name of 4-chloro-2-(pyridin-3-ylamino)phenol (CID 102179670) is 4-chloro-2-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 4-chloro-2-(pyridin-3-ylamino)phenol?
The canonical SMILES for 4-chloro-2-(pyridin-3-ylamino)phenol is Oc1ccc(Cl)cc1Nc1cccnc1.
What is the InChIKey of 4-chloro-2-(pyridin-3-ylamino)phenol?
The InChIKey is HGALMSRDNMRUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-8-3-4-11(15)10(6-8)14-9-2-1-5-13-7-9/h1-7,14-15H.
What are the key properties of 4-chloro-2-(pyridin-3-ylamino)phenol?
4-chloro-2-(pyridin-3-ylamino)phenol has a molecular weight of 220.66 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 102179670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).