(4-amino-6-chloro-3-pyridinyl)methanol

C6H7ClN2O — CID 21073390

IUPAC(4-amino-6-chloro-3-pyridinyl)methanol
SMILESNc1cc(Cl)ncc1CO
InChIInChI=1S/C6H7ClN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-2,10H,3H2,(H2,8,9)
InChIKeyAVYMOPIIGPZZEH-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.81
Rot. Bonds1

About (4-amino-6-chloro-3-pyridinyl)methanol

(4-amino-6-chloro-3-pyridinyl)methanol (PubChem CID 21073390) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (4-amino-6-chloro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-amino-6-chloro-3-pyridinyl)methanol
PubChem CID21073390
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(4-amino-6-chloro-3-pyridinyl)methanol
SMILESNc1cc(Cl)ncc1CO
InChIInChI=1S/C6H7ClN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-2,10H,3H2,(H2,8,9)
InChIKeyAVYMOPIIGPZZEH-UHFFFAOYSA-N
XLogP0.81
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-chloro-3-pyridinyl)methanol?
The IUPAC name of (4-amino-6-chloro-3-pyridinyl)methanol (CID 21073390) is (4-amino-6-chloro-3-pyridinyl)methanol.
What is the SMILES notation for (4-amino-6-chloro-3-pyridinyl)methanol?
The canonical SMILES for (4-amino-6-chloro-3-pyridinyl)methanol is Nc1cc(Cl)ncc1CO.
What is the InChIKey of (4-amino-6-chloro-3-pyridinyl)methanol?
The InChIKey is AVYMOPIIGPZZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-6-1-5(8)4(3-10)2-9-6/h1-2,10H,3H2,(H2,8,9).
What are the key properties of (4-amino-6-chloro-3-pyridinyl)methanol?
(4-amino-6-chloro-3-pyridinyl)methanol has a molecular weight of 158.59 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-chloro-3-pyridinyl)methanol is sourced from PubChem (CID 21073390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).