3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile

C10H10ClF2N3O — CID 107479563

IUPAC3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C10H10ClF2N3O/c11-9-7(5-14)1-2-15-10(9)16(3-4-17)6-8(12)13/h1-2,8,17H,3-4,6H2
InChIKeyBBHMQZCHQAIOQG-UHFFFAOYSA-N
MW261.66 g/mol
LogP1.67
Rot. Bonds5

About 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile

3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile (PubChem CID 107479563) has the molecular formula C10H10ClF2N3O and a molecular weight of 261.66 g/mol. Its IUPAC name is 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
PubChem CID107479563
Molecular FormulaC10H10ClF2N3O
Molecular Weight261.66 g/mol
Exact Mass261.05
IUPAC Name3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)CC(F)F)c1Cl
InChIInChI=1S/C10H10ClF2N3O/c11-9-7(5-14)1-2-15-10(9)16(3-4-17)6-8(12)13/h1-2,8,17H,3-4,6H2
InChIKeyBBHMQZCHQAIOQG-UHFFFAOYSA-N
XLogP1.67
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-fluorobenzonitrile
CID 107479576
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
CID 107479568
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
CID 107479570

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile (CID 107479563) is 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile is N#Cc1ccnc(N(CCO)CC(F)F)c1Cl.
What is the InChIKey of 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
The InChIKey is BBHMQZCHQAIOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3O/c11-9-7(5-14)1-2-15-10(9)16(3-4-17)6-8(12)13/h1-2,8,17H,3-4,6H2.
What are the key properties of 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile has a molecular weight of 261.66 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107479563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).