3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile

C14H10ClF2N3O2 — CID 133334072

IUPAC3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1OC(F)F
InChIInChI=1S/C14H10ClF2N3O2/c1-21-11-4-2-8(6-12(11)22-14(16)17)19-13-5-3-9(15)10(7-18)20-13/h2-6,14H,1H3,(H,19,20)
InChIKeyDTOQBRXNFNWPJI-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.96
Rot. Bonds5

About 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile

3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile (PubChem CID 133334072) has the molecular formula C14H10ClF2N3O2 and a molecular weight of 325.70 g/mol. Its IUPAC name is 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
PubChem CID133334072
Molecular FormulaC14H10ClF2N3O2
Molecular Weight325.70 g/mol
Exact Mass325.04
IUPAC Name3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1OC(F)F
InChIInChI=1S/C14H10ClF2N3O2/c1-21-11-4-2-8(6-12(11)22-14(16)17)19-13-5-3-9(15)10(7-18)20-13/h2-6,14H,1H3,(H,19,20)
InChIKeyDTOQBRXNFNWPJI-UHFFFAOYSA-N
XLogP3.96
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133351459
6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile
CID 133416340
N-(4-chloro-3-cyanophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55758526
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
CID 133392141
1-tert-butyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 78842481
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
5-chloro-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 66218090
2-(2,4-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 55539749
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
CID 43381012
3-[[6-(3-chloro-4-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878212
N-(3,5-dichlorophenyl)-2-[3-(difluoromethoxy)-4-methoxyanilino]propanamide
CID 24652283

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile (CID 133334072) is 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile is COc1ccc(Nc2ccc(Cl)c(C#N)n2)cc1OC(F)F.
What is the InChIKey of 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile?
The InChIKey is DTOQBRXNFNWPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N3O2/c1-21-11-4-2-8(6-12(11)22-14(16)17)19-13-5-3-9(15)10(7-18)20-13/h2-6,14H,1H3,(H,19,20).
What are the key properties of 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile?
3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile has a molecular weight of 325.70 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(difluoromethoxy)-4-methoxyanilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133334072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).