3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile

C9H9F2N3 — CID 130078191

IUPAC3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
SMILESCc1nc(C(F)F)cc(C#N)c1CN
InChIInChI=1S/C9H9F2N3/c1-5-7(4-13)6(3-12)2-8(14-5)9(10)11/h2,9H,4,13H2,1H3
InChIKeyKFIINTDQSJEKIX-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.66
Rot. Bonds2

About 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile

3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile (PubChem CID 130078191) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
PubChem CID130078191
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
SMILESCc1nc(C(F)F)cc(C#N)c1CN
InChIInChI=1S/C9H9F2N3/c1-5-7(4-13)6(3-12)2-8(14-5)9(10)11/h2,9H,4,13H2,1H3
InChIKeyKFIINTDQSJEKIX-UHFFFAOYSA-N
XLogP1.66
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridine-4-carbonitrile
CID 130076141
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
[6-(difluoromethyl)-3-fluoro-2-methyl-4-pyridinyl]methanamine
CID 118834888
6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
CID 130078176
2-[3-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133105860
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118831350
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
[6-(difluoromethyl)-2,4-dimethyl-3-pyridinyl]methanol
CID 130101372
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118839308
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
CID 133107766

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile (CID 130078191) is 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile is Cc1nc(C(F)F)cc(C#N)c1CN.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile?
The InChIKey is KFIINTDQSJEKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-7(4-13)6(3-12)2-8(14-5)9(10)11/h2,9H,4,13H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile?
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile has a molecular weight of 197.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile is sourced from PubChem (CID 130078191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).