2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol

C12H10Cl2N2O — CID 889392

IUPAC2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1ccccn1
InChIInChI=1S/C12H10Cl2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-6,17H,7H2,(H,15,16)
InChIKeyOVNBKDROKHKFFR-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.71
Rot. Bonds3

About 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol

2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol (PubChem CID 889392) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol
PubChem CID889392
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNc1ccccn1
InChIInChI=1S/C12H10Cl2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-6,17H,7H2,(H,15,16)
InChIKeyOVNBKDROKHKFFR-UHFFFAOYSA-N
XLogP3.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol (CID 889392) is 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNc1ccccn1.
What is the InChIKey of 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol?
The InChIKey is OVNBKDROKHKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-5-8(12(17)10(14)6-9)7-16-11-3-1-2-4-15-11/h1-6,17H,7H2,(H,15,16).
What are the key properties of 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol?
2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol has a molecular weight of 269.13 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(pyridin-2-ylamino)methyl]phenol is sourced from PubChem (CID 889392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).