2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H8ClF2N3 — CID 130074972

IUPAC2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(Cl)c(CN)c1C(F)F
InChIInChI=1S/C9H8ClF2N3/c10-6-4-15-7(1-2-13)8(9(11)12)5(6)3-14/h4,9H,1,3,14H2
InChIKeyJQBGZPZNUSPLKV-UHFFFAOYSA-N
MW231.63 g/mol
LogP2.20
Rot. Bonds3

About 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130074972) has the molecular formula C9H8ClF2N3 and a molecular weight of 231.63 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130074972
Molecular FormulaC9H8ClF2N3
Molecular Weight231.63 g/mol
Exact Mass231.04
IUPAC Name2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(Cl)c(CN)c1C(F)F
InChIInChI=1S/C9H8ClF2N3/c10-6-4-15-7(1-2-13)8(9(11)12)5(6)3-14/h4,9H,1,3,14H2
InChIKeyJQBGZPZNUSPLKV-UHFFFAOYSA-N
XLogP2.20
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.63
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
[5-chloro-3-(difluoromethyl)-2-fluoro-4-pyridinyl]methanamine
CID 130071715
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449
2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130081801
2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 118811281
[5-chloro-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118846102
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 130074972) is 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1ncc(Cl)c(CN)c1C(F)F.
What is the InChIKey of 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is JQBGZPZNUSPLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3/c10-6-4-15-7(1-2-13)8(9(11)12)5(6)3-14/h4,9H,1,3,14H2.
What are the key properties of 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 231.63 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130074972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).