3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile

C13H10ClN3O — CID 107061466

IUPAC3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
SMILESCNc1ccc(Oc2nccc(C#N)c2Cl)cc1
InChIInChI=1S/C13H10ClN3O/c1-16-10-2-4-11(5-3-10)18-13-12(14)9(8-15)6-7-17-13/h2-7,16H,1H3
InChIKeyYNMZIAAORUMQHY-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.44
Rot. Bonds3

About 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile

3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile (PubChem CID 107061466) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
PubChem CID107061466
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
SMILESCNc1ccc(Oc2nccc(C#N)c2Cl)cc1
InChIInChI=1S/C13H10ClN3O/c1-16-10-2-4-11(5-3-10)18-13-12(14)9(8-15)6-7-17-13/h2-7,16H,1H3
InChIKeyYNMZIAAORUMQHY-UHFFFAOYSA-N
XLogP3.44
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-4-carbonitrile
CID 107059136
2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
CID 107058844
3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
CID 107059219
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
5-chloro-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580990
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
CID 107061103
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile (CID 107061466) is 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile is CNc1ccc(Oc2nccc(C#N)c2Cl)cc1.
What is the InChIKey of 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile?
The InChIKey is YNMZIAAORUMQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-16-10-2-4-11(5-3-10)18-13-12(14)9(8-15)6-7-17-13/h2-7,16H,1H3.
What are the key properties of 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile?
3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile has a molecular weight of 259.70 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 107061466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).