2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile

C14H12FN3O — CID 51091666

IUPAC2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccc(CO)c(F)c1
InChIInChI=1S/C14H12FN3O/c15-13-6-10(3-4-12(13)9-19)8-18-14-11(7-16)2-1-5-17-14/h1-6,19H,8-9H2,(H,17,18)
InChIKeyFTLTYLYVEBUNHS-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.20
Rot. Bonds4

About 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile

2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 51091666) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID51091666
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1ccc(CO)c(F)c1
InChIInChI=1S/C14H12FN3O/c15-13-6-10(3-4-12(13)9-19)8-18-14-11(7-16)2-1-5-17-14/h1-6,19H,8-9H2,(H,17,18)
InChIKeyFTLTYLYVEBUNHS-UHFFFAOYSA-N
XLogP2.20
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[[[3-(hydroxymethyl)-2-pyridinyl]amino]methyl]benzonitrile
CID 83317572
2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 63311555
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
CID 60965511
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
2-fluoro-5-[[3-(hydroxymethyl)-2-pyridinyl]amino]benzonitrile
CID 18956142
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[2-(2,4-dichlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 26472030
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 51091666) is 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCc1ccc(CO)c(F)c1.
What is the InChIKey of 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is FTLTYLYVEBUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-13-6-10(3-4-12(13)9-19)8-18-14-11(7-16)2-1-5-17-14/h1-6,19H,8-9H2,(H,17,18).
What are the key properties of 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 257.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 51091666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).