[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol

C14H14ClFN2O — CID 114920211

IUPAC[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
SMILESCN(Cc1cccc(F)c1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C14H14ClFN2O/c1-18(8-10-3-2-4-12(16)5-10)14-6-11(9-19)13(15)7-17-14/h2-7,19H,8-9H2,1H3
InChIKeyULAAGVRBANFTGO-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.00
Rot. Bonds4

About [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol

[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol (PubChem CID 114920211) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
PubChem CID114920211
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
SMILESCN(Cc1cccc(F)c1)c1cc(CO)c(Cl)cn1
InChIInChI=1S/C14H14ClFN2O/c1-18(8-10-3-2-4-12(16)5-10)14-6-11(9-19)13(15)7-17-14/h2-7,19H,8-9H2,1H3
InChIKeyULAAGVRBANFTGO-UHFFFAOYSA-N
XLogP3.00
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114925273
[5-chloro-2-[furan-2-ylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 114920233
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62477954
[6-[benzyl(methyl)amino]-4-methyl-3-pyridinyl]methanol
CID 102545430
4-(aminomethyl)-3-chloro-N-[(3-fluorophenyl)methyl]-N-methylaniline
CID 62945834
4-(aminomethyl)-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925259
6-[(3-fluorophenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115143017
5-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 114919313
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol (CID 114920211) is [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol is CN(Cc1cccc(F)c1)c1cc(CO)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol?
The InChIKey is ULAAGVRBANFTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-18(8-10-3-2-4-12(16)5-10)14-6-11(9-19)13(15)7-17-14/h2-7,19H,8-9H2,1H3.
What are the key properties of [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol?
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol has a molecular weight of 280.73 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).