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

C10H9F2N3O2 — CID 133107066

IUPACmethyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(CN)cc(C#N)nc1C(F)F
InChIInChI=1S/C10H9F2N3O2/c1-17-10(16)7-5(3-13)2-6(4-14)15-8(7)9(11)12/h2,9H,3,13H2,1H3
InChIKeyJSZZMQXHUZLRLK-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.14
Rot. Bonds3

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

methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 133107066) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID133107066
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(CN)cc(C#N)nc1C(F)F
InChIInChI=1S/C10H9F2N3O2/c1-17-10(16)7-5(3-13)2-6(4-14)15-8(7)9(11)12/h2,9H,3,13H2,1H3
InChIKeyJSZZMQXHUZLRLK-UHFFFAOYSA-N
XLogP1.14
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-cyano-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134664321
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535
methyl 4-(aminomethyl)-6-bromo-2-(difluoromethyl)pyridine-3-carboxylate
CID 134675417
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
methyl 2-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103649
methyl 2-[6-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 134684522
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
methyl 2-[3-chloro-6-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684415
4-(aminomethyl)-5-bromo-6-(difluoromethyl)pyridine-2-carbonitrile
CID 118824155
methyl 4-cyano-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 130077676
methyl 2-(aminomethyl)-6-cyano-4-fluorobenzoate
CID 131470650
methyl 3-(aminomethyl)-6-cyano-2-(difluoromethyl)benzoate
CID 134634862

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate (CID 133107066) is methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(CN)cc(C#N)nc1C(F)F.
What is the InChIKey of methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is JSZZMQXHUZLRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-17-10(16)7-5(3-13)2-6(4-14)15-8(7)9(11)12/h2,9H,3,13H2,1H3.
What are the key properties of methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate?
methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 241.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)-6-cyano-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 133107066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).