(4-amino-5-chloro-2-pyridinyl)methanol

C6H7ClN2O — CID 130880723

IUPAC(4-amino-5-chloro-2-pyridinyl)methanol
SMILESNc1cc(CO)ncc1Cl
InChIInChI=1S/C6H7ClN2O/c7-5-2-9-4(3-10)1-6(5)8/h1-2,10H,3H2,(H2,8,9)
InChIKeyGXGZPAYFBOXIQN-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.81
Rot. Bonds1

About (4-amino-5-chloro-2-pyridinyl)methanol

(4-amino-5-chloro-2-pyridinyl)methanol (PubChem CID 130880723) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (4-amino-5-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-amino-5-chloro-2-pyridinyl)methanol
PubChem CID130880723
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(4-amino-5-chloro-2-pyridinyl)methanol
SMILESNc1cc(CO)ncc1Cl
InChIInChI=1S/C6H7ClN2O/c7-5-2-9-4(3-10)1-6(5)8/h1-2,10H,3H2,(H2,8,9)
InChIKeyGXGZPAYFBOXIQN-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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-pyridinyl)methanol?
The IUPAC name of (4-amino-5-chloro-2-pyridinyl)methanol (CID 130880723) is (4-amino-5-chloro-2-pyridinyl)methanol.
What is the SMILES notation for (4-amino-5-chloro-2-pyridinyl)methanol?
The canonical SMILES for (4-amino-5-chloro-2-pyridinyl)methanol is Nc1cc(CO)ncc1Cl.
What is the InChIKey of (4-amino-5-chloro-2-pyridinyl)methanol?
The InChIKey is GXGZPAYFBOXIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c7-5-2-9-4(3-10)1-6(5)8/h1-2,10H,3H2,(H2,8,9).
What are the key properties of (4-amino-5-chloro-2-pyridinyl)methanol?
(4-amino-5-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 (4-amino-5-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 130880723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).