3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile

C9H6ClN5O — CID 107059219

IUPAC3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
SMILESCn1cnc(Oc2nccc(C#N)c2Cl)n1
InChIInChI=1S/C9H6ClN5O/c1-15-5-13-9(14-15)16-8-7(10)6(4-11)2-3-12-8/h2-3,5H,1H3
InChIKeyBBPFOOOGEISMGW-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.53
Rot. Bonds2

About 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile

3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile (PubChem CID 107059219) has the molecular formula C9H6ClN5O and a molecular weight of 235.63 g/mol. Its IUPAC name is 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
PubChem CID107059219
Molecular FormulaC9H6ClN5O
Molecular Weight235.63 g/mol
Exact Mass235.03
IUPAC Name3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile
SMILESCn1cnc(Oc2nccc(C#N)c2Cl)n1
InChIInChI=1S/C9H6ClN5O/c1-15-5-13-9(14-15)16-8-7(10)6(4-11)2-3-12-8/h2-3,5H,1H3
InChIKeyBBPFOOOGEISMGW-UHFFFAOYSA-N
XLogP1.53
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2-(2,4-dichlorophenoxy)pyridine-4-carbonitrile
CID 107058848
2-(2-aminophenoxy)-3-chloropyridine-4-carbonitrile
CID 107061078
3-chloro-2-(2-chloro-5-methylphenoxy)pyridine-4-carbonitrile
CID 107058950
2-(2-tert-butyl-5-methylphenoxy)-3-chloropyridine-4-carbonitrile
CID 107058931
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
3-chloro-2-[4-(methylamino)phenoxy]pyridine-4-carbonitrile
CID 107061466
3-chloro-2-(3-hydroxynaphthalen-2-yl)oxypyridine-4-carbonitrile
CID 107061464
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
3-chloro-2-(2-methoxyethoxy)pyridine-4-carbonitrile
CID 107058776
2-[2-amino-5-(dimethylamino)phenoxy]-3-chloropyridine-4-carbonitrile
CID 107061103
4-[(3-chloro-4-cyano-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672883

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile (CID 107059219) is 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile is Cn1cnc(Oc2nccc(C#N)c2Cl)n1.
What is the InChIKey of 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile?
The InChIKey is BBPFOOOGEISMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5O/c1-15-5-13-9(14-15)16-8-7(10)6(4-11)2-3-12-8/h2-3,5H,1H3.
What are the key properties of 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile?
3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile has a molecular weight of 235.63 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine-4-carbonitrile is sourced from PubChem (CID 107059219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).