(5-anilino-3-pyridinyl)methanol;hydrochloride

C12H13ClN2O — CID 69395615

IUPAC(5-anilino-3-pyridinyl)methanol;hydrochloride
SMILESCl.OCc1cncc(Nc2ccccc2)c1
InChIInChI=1S/C12H12N2O.ClH/c15-9-10-6-12(8-13-7-10)14-11-4-2-1-3-5-11;/h1-8,14-15H,9H2;1H
InChIKeyJDJKJLTTXMBDOM-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.74
Rot. Bonds3

About (5-anilino-3-pyridinyl)methanol;hydrochloride

(5-anilino-3-pyridinyl)methanol;hydrochloride (PubChem CID 69395615) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (5-anilino-3-pyridinyl)methanol;hydrochloride.

Molecular Properties

Compound Name(5-anilino-3-pyridinyl)methanol;hydrochloride
PubChem CID69395615
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(5-anilino-3-pyridinyl)methanol;hydrochloride
SMILESCl.OCc1cncc(Nc2ccccc2)c1
InChIInChI=1S/C12H12N2O.ClH/c15-9-10-6-12(8-13-7-10)14-11-4-2-1-3-5-11;/h1-8,14-15H,9H2;1H
InChIKeyJDJKJLTTXMBDOM-UHFFFAOYSA-N
XLogP2.74
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
(2-anilinopyrimidin-5-yl)methanol;methane
CID 161338476
[4-[(5-methoxy-3-pyridinyl)amino]phenyl]methanol
CID 146636202
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
molecular hydrogen;N-phenyl-5-propan-2-ylpyridin-3-amine
CID 177237775
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
azane;N-phenylaniline
CID 67074378
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520

Frequently Asked Questions

What is the IUPAC name of (5-anilino-3-pyridinyl)methanol;hydrochloride?
The IUPAC name of (5-anilino-3-pyridinyl)methanol;hydrochloride (CID 69395615) is (5-anilino-3-pyridinyl)methanol;hydrochloride.
What is the SMILES notation for (5-anilino-3-pyridinyl)methanol;hydrochloride?
The canonical SMILES for (5-anilino-3-pyridinyl)methanol;hydrochloride is Cl.OCc1cncc(Nc2ccccc2)c1.
What is the InChIKey of (5-anilino-3-pyridinyl)methanol;hydrochloride?
The InChIKey is JDJKJLTTXMBDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c15-9-10-6-12(8-13-7-10)14-11-4-2-1-3-5-11;/h1-8,14-15H,9H2;1H.
What are the key properties of (5-anilino-3-pyridinyl)methanol;hydrochloride?
(5-anilino-3-pyridinyl)methanol;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-3-pyridinyl)methanol;hydrochloride is sourced from PubChem (CID 69395615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).