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

C9H9F2N3 — CID 130078176

IUPAC6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)cc(CN)nc1C(F)F
InChIInChI=1S/C9H9F2N3/c1-5-6(3-12)2-7(4-13)14-8(5)9(10)11/h2,9H,4,13H2,1H3
InChIKeyDSEGBAWVTHGNBE-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.66
Rot. Bonds2

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

6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile (PubChem CID 130078176) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
PubChem CID130078176
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile
SMILESCc1c(C#N)cc(CN)nc1C(F)F
InChIInChI=1S/C9H9F2N3/c1-5-6(3-12)2-7(4-13)14-8(5)9(10)11/h2,9H,4,13H2,1H3
InChIKeyDSEGBAWVTHGNBE-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

6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile
CID 130078539
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
4-cyano-6-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 134685969
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
3-(aminomethyl)-6-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078191
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile (CID 130078176) is 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile is Cc1c(C#N)cc(CN)nc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile?
The InChIKey is DSEGBAWVTHGNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-6(3-12)2-7(4-13)14-8(5)9(10)11/h2,9H,4,13H2,1H3.
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile?
6-(aminomethyl)-2-(difluoromethyl)-3-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 6-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carbonitrile is sourced from PubChem (CID 130078176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).