3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride

C13H13ClN4O — CID 139728153

IUPAC3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride
SMILESCl.Nc1nccc2c1ncn2Cc1cccc(O)c1
InChIInChI=1S/C13H12N4O.ClH/c14-13-12-11(4-5-15-13)17(8-16-12)7-9-2-1-3-10(18)6-9;/h1-6,8,18H,7H2,(H2,14,15);1H
InChIKeyLCQJKZNPODEFGY-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.19
Rot. Bonds2

About 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride

3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride (PubChem CID 139728153) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride
PubChem CID139728153
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride
SMILESCl.Nc1nccc2c1ncn2Cc1cccc(O)c1
InChIInChI=1S/C13H12N4O.ClH/c14-13-12-11(4-5-15-13)17(8-16-12)7-9-2-1-3-10(18)6-9;/h1-6,8,18H,7H2,(H2,14,15);1H
InChIKeyLCQJKZNPODEFGY-UHFFFAOYSA-N
XLogP2.19
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
CID 13258439
1-(pyridin-4-ylmethyl)benzimidazol-4-amine
CID 59428629
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
CID 158313902
(Z)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)pent-3-ene-1,2-diol
CID 82371988
5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one
CID 115114394
1-[(3-methylphenyl)methyl]benzimidazole-4-carboxylic acid
CID 115543177
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538
1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide
CID 142567283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride?
The IUPAC name of 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride (CID 139728153) is 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride is Cl.Nc1nccc2c1ncn2Cc1cccc(O)c1.
What is the InChIKey of 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride?
The InChIKey is LCQJKZNPODEFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O.ClH/c14-13-12-11(4-5-15-13)17(8-16-12)7-9-2-1-3-10(18)6-9;/h1-6,8,18H,7H2,(H2,14,15);1H.
What are the key properties of 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride?
3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride has a molecular weight of 276.73 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 139728153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).