3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile

C8H6ClF2N3 — CID 130071103

IUPAC3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(C(F)F)c1CN
InChIInChI=1S/C8H6ClF2N3/c9-6-3-14-7(8(10)11)5(2-13)4(6)1-12/h3,8H,2,13H2
InChIKeyWBLNQRQGMSVYMI-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.00
Rot. Bonds2

About 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile

3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130071103) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130071103
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(C(F)F)c1CN
InChIInChI=1S/C8H6ClF2N3/c9-6-3-14-7(8(10)11)5(2-13)4(6)1-12/h3,8H,2,13H2
InChIKeyWBLNQRQGMSVYMI-UHFFFAOYSA-N
XLogP2.00
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130099195
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile (CID 130071103) is 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1c(Cl)cnc(C(F)F)c1CN.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is WBLNQRQGMSVYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c9-6-3-14-7(8(10)11)5(2-13)4(6)1-12/h3,8H,2,13H2.
What are the key properties of 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile?
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile has a molecular weight of 217.61 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130071103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).