methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate

C9H5ClF2N2O2 — CID 130071382

IUPACmethyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(C(F)F)nc1C#N
InChIInChI=1S/C9H5ClF2N2O2/c1-16-9(15)7-4(10)2-5(8(11)12)14-6(7)3-13/h2,8H,1H3
InChIKeyDRUDPADFYBXQDZ-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.33
Rot. Bonds2

About methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate

methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 130071382) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
PubChem CID130071382
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Namemethyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)cc(C(F)F)nc1C#N
InChIInChI=1S/C9H5ClF2N2O2/c1-16-9(15)7-4(10)2-5(8(11)12)14-6(7)3-13/h2,8H,1H3
InChIKeyDRUDPADFYBXQDZ-UHFFFAOYSA-N
XLogP2.33
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130103675
methyl 4-cyano-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134686496
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
ethyl 3-chloro-2-cyano-6-(difluoromethyl)pyridine-4-carboxylate
CID 134674109
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
methyl 4-chloro-3-(chloromethyl)-6-(difluoromethyl)pyridine-2-carboxylate
CID 130075735
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141
2-cyano-6-(difluoromethyl)-3-fluoropyridine-4-carbonyl chloride
CID 134685966
6-(difluoromethyl)-3-hydroxy-4-methoxypyridine-2-carbonitrile
CID 130076438
methyl 2-[4-(bromomethyl)-2-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 133106654
methyl 4-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133106381

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate (CID 130071382) is methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(Cl)cc(C(F)F)nc1C#N.
What is the InChIKey of methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is DRUDPADFYBXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c1-16-9(15)7-4(10)2-5(8(11)12)14-6(7)3-13/h2,8H,1H3.
What are the key properties of methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate?
methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 246.60 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 130071382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).