6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile

C7H3ClF2N2O — CID 130775319

IUPAC6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cl)nc1OC(F)F
InChIInChI=1S/C7H3ClF2N2O/c8-5-2-1-4(3-11)6(12-5)13-7(9)10/h1-2,7H
InChIKeySBTGBDNCRZJWMJ-UHFFFAOYSA-N
MW204.56 g/mol
LogP2.21
Rot. Bonds2

About 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile

6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile (PubChem CID 130775319) has the molecular formula C7H3ClF2N2O and a molecular weight of 204.56 g/mol. Its IUPAC name is 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
PubChem CID130775319
Molecular FormulaC7H3ClF2N2O
Molecular Weight204.56 g/mol
Exact Mass203.99
IUPAC Name6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cl)nc1OC(F)F
InChIInChI=1S/C7H3ClF2N2O/c8-5-2-1-4(3-11)6(12-5)13-7(9)10/h1-2,7H
InChIKeySBTGBDNCRZJWMJ-UHFFFAOYSA-N
XLogP2.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.56
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-(difluoromethoxy)benzonitrile
CID 119009629
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-2-fluorobenzonitrile
CID 113317073
2,6-di(propan-2-yloxy)pyridine-3-carbonitrile
CID 11117559
6-chloro-2-(dimethylamino)pyridine-3-carbonitrile
CID 178072823
2-(difluoromethoxy)-5-methylpyridine-3-carbonitrile
CID 131192874
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
3-acetyl-2-chloro-4-(difluoromethoxy)benzonitrile
CID 171001218
6-(4-chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
CID 2765245
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078
3-(difluoromethoxy)pyridine-4-carbonitrile
CID 131231725
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
2-but-3-yn-2-yloxy-6-methylpyridine-3-carbonitrile
CID 106794912

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile (CID 130775319) is 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile is N#Cc1ccc(Cl)nc1OC(F)F.
What is the InChIKey of 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is SBTGBDNCRZJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O/c8-5-2-1-4(3-11)6(12-5)13-7(9)10/h1-2,7H.
What are the key properties of 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile?
6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 204.56 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(difluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 130775319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).