2-amino-5-chloro-4-methoxypyridine-3-carbonitrile

C7H6ClN3O — CID 124519381

IUPAC2-amino-5-chloro-4-methoxypyridine-3-carbonitrile
SMILESCOc1c(Cl)cnc(N)c1C#N
InChIInChI=1S/C7H6ClN3O/c1-12-6-4(2-9)7(10)11-3-5(6)8/h3H,1H3,(H2,10,11)
InChIKeyJXQWMBWOBAUPLQ-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.20
Rot. Bonds1

About 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile

2-amino-5-chloro-4-methoxypyridine-3-carbonitrile (PubChem CID 124519381) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-chloro-4-methoxypyridine-3-carbonitrile
PubChem CID124519381
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name2-amino-5-chloro-4-methoxypyridine-3-carbonitrile
SMILESCOc1c(Cl)cnc(N)c1C#N
InChIInChI=1S/C7H6ClN3O/c1-12-6-4(2-9)7(10)11-3-5(6)8/h3H,1H3,(H2,10,11)
InChIKeyJXQWMBWOBAUPLQ-UHFFFAOYSA-N
XLogP1.20
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile (CID 124519381) is 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile is COc1c(Cl)cnc(N)c1C#N.
What is the InChIKey of 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile?
The InChIKey is JXQWMBWOBAUPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-12-6-4(2-9)7(10)11-3-5(6)8/h3H,1H3,(H2,10,11).
What are the key properties of 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile?
2-amino-5-chloro-4-methoxypyridine-3-carbonitrile has a molecular weight of 183.60 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 124519381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).