4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile

C9H10FN3O — CID 131203943

IUPAC4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile
SMILESCOc1cc(NCCF)c(C#N)cn1
InChIInChI=1S/C9H10FN3O/c1-14-9-4-8(12-3-2-10)7(5-11)6-13-9/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyLKCRYIMSNUGIDU-UHFFFAOYSA-N
MW195.20 g/mol
LogP1.34
Rot. Bonds4

About 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile

4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile (PubChem CID 131203943) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile
PubChem CID131203943
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile
SMILESCOc1cc(NCCF)c(C#N)cn1
InChIInChI=1S/C9H10FN3O/c1-14-9-4-8(12-3-2-10)7(5-11)6-13-9/h4,6H,2-3H2,1H3,(H,12,13)
InChIKeyLKCRYIMSNUGIDU-UHFFFAOYSA-N
XLogP1.34
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile (CID 131203943) is 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile is COc1cc(NCCF)c(C#N)cn1.
What is the InChIKey of 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile?
The InChIKey is LKCRYIMSNUGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c1-14-9-4-8(12-3-2-10)7(5-11)6-13-9/h4,6H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile?
4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile has a molecular weight of 195.20 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)-6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 131203943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).