(3-amino-6-chloro-2-pyridinyl)methanol

C6H7ClN2O — CID 19353056

IUPAC(3-amino-6-chloro-2-pyridinyl)methanol
SMILESNc1ccc(Cl)nc1CO
InChIInChI=1S/C6H7ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-2,10H,3,8H2
InChIKeyITACSYIQCRMRJH-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.81
Rot. Bonds1

About (3-amino-6-chloro-2-pyridinyl)methanol

(3-amino-6-chloro-2-pyridinyl)methanol (PubChem CID 19353056) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (3-amino-6-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-amino-6-chloro-2-pyridinyl)methanol
PubChem CID19353056
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(3-amino-6-chloro-2-pyridinyl)methanol
SMILESNc1ccc(Cl)nc1CO
InChIInChI=1S/C6H7ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-2,10H,3,8H2
InChIKeyITACSYIQCRMRJH-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 (3-amino-6-chloro-2-pyridinyl)methanol?
The IUPAC name of (3-amino-6-chloro-2-pyridinyl)methanol (CID 19353056) is (3-amino-6-chloro-2-pyridinyl)methanol.
What is the SMILES notation for (3-amino-6-chloro-2-pyridinyl)methanol?
The canonical SMILES for (3-amino-6-chloro-2-pyridinyl)methanol is Nc1ccc(Cl)nc1CO.
What is the InChIKey of (3-amino-6-chloro-2-pyridinyl)methanol?
The InChIKey is ITACSYIQCRMRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-6-2-1-4(8)5(3-10)9-6/h1-2,10H,3,8H2.
What are the key properties of (3-amino-6-chloro-2-pyridinyl)methanol?
(3-amino-6-chloro-2-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 (3-amino-6-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 19353056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).