5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile

C14H11ClFN3O — CID 86781943

IUPAC5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC(CO)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H11ClFN3O/c15-12-4-1-9(5-13(12)16)14(8-20)19-11-3-2-10(6-17)18-7-11/h1-5,7,14,19-20H,8H2
InChIKeyOYMLJOJTJNAPAZ-UHFFFAOYSA-N
MW291.71 g/mol
LogP2.89
Rot. Bonds4

About 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile

5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile (PubChem CID 86781943) has the molecular formula C14H11ClFN3O and a molecular weight of 291.71 g/mol. Its IUPAC name is 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
PubChem CID86781943
Molecular FormulaC14H11ClFN3O
Molecular Weight291.71 g/mol
Exact Mass291.06
IUPAC Name5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC(CO)c2ccc(Cl)c(F)c2)cn1
InChIInChI=1S/C14H11ClFN3O/c15-12-4-1-9(5-13(12)16)14(8-20)19-11-3-2-10(6-17)18-7-11/h1-5,7,14,19-20H,8H2
InChIKeyOYMLJOJTJNAPAZ-UHFFFAOYSA-N
XLogP2.89
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]quinoline-6-carbonitrile
CID 97158817
5-[[(R)-(4-chlorophenyl)-(1-methylpyrazol-3-yl)methyl]amino]pyridine-2-carbonitrile
CID 124887299
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
N-[1-(4-chloro-3-fluorophenyl)ethyl]-6-methylpyridin-3-amine
CID 83069397
4-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-(trifluoromethyl)benzonitrile
CID 133445060
2-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile (CID 86781943) is 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile is N#Cc1ccc(NC(CO)c2ccc(Cl)c(F)c2)cn1.
What is the InChIKey of 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
The InChIKey is OYMLJOJTJNAPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O/c15-12-4-1-9(5-13(12)16)14(8-20)19-11-3-2-10(6-17)18-7-11/h1-5,7,14,19-20H,8H2.
What are the key properties of 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile?
5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile has a molecular weight of 291.71 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 86781943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).