[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol

C14H14BrClN2O — CID 62000732

IUPAC[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
SMILESCN(Cc1ccc(Cl)cc1)c1ncc(Br)cc1CO
InChIInChI=1S/C14H14BrClN2O/c1-18(8-10-2-4-13(16)5-3-10)14-11(9-19)6-12(15)7-17-14/h2-7,19H,8-9H2,1H3
InChIKeyWIMQBMAANANFKY-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.63
Rot. Bonds4

About [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol

[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol (PubChem CID 62000732) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
PubChem CID62000732
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol
SMILESCN(Cc1ccc(Cl)cc1)c1ncc(Br)cc1CO
InChIInChI=1S/C14H14BrClN2O/c1-18(8-10-2-4-13(16)5-3-10)14-11(9-19)6-12(15)7-17-14/h2-7,19H,8-9H2,1H3
InChIKeyWIMQBMAANANFKY-UHFFFAOYSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromophenyl)methyl]-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62288203
N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
[4-chloro-2-[(4-chlorophenyl)methyl-methylamino]phenyl]methanol
CID 114845317
5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66340835
[5-bromo-2-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849578
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol
CID 55162448
5-amino-6-[(4-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440229
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol?
The IUPAC name of [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol (CID 62000732) is [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol is CN(Cc1ccc(Cl)cc1)c1ncc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol?
The InChIKey is WIMQBMAANANFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-18(8-10-2-4-13(16)5-3-10)14-11(9-19)6-12(15)7-17-14/h2-7,19H,8-9H2,1H3.
What are the key properties of [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol?
[5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol has a molecular weight of 341.64 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-chlorophenyl)methyl-methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 62000732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).