3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile

C10H5BrN4 — CID 170449856

IUPAC3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cnc(Br)nc1
InChIInChI=1S/C10H5BrN4/c11-10-14-5-7(6-15-10)8-2-1-3-13-9(8)4-12/h1-3,5-6H
InChIKeyTWIZAEKBMRCPCV-UHFFFAOYSA-N
MW261.08 g/mol
LogP2.17
Rot. Bonds1

About 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile

3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile (PubChem CID 170449856) has the molecular formula C10H5BrN4 and a molecular weight of 261.08 g/mol. Its IUPAC name is 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
PubChem CID170449856
Molecular FormulaC10H5BrN4
Molecular Weight261.08 g/mol
Exact Mass259.97
IUPAC Name3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile
SMILESN#Cc1ncccc1-c1cnc(Br)nc1
InChIInChI=1S/C10H5BrN4/c11-10-14-5-7(6-15-10)8-2-1-3-13-9(8)4-12/h1-3,5-6H
InChIKeyTWIZAEKBMRCPCV-UHFFFAOYSA-N
XLogP2.17
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[7-(2-cyano-3-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 118397742
3-(4-fluorophenyl)pyridine-2-carbonitrile
CID 46312083
3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
3-bromo-4-phenylpyridine-2-carbonitrile
CID 130138671
3-(2,6-dichlorophenyl)pyridine-2-carbonitrile
CID 133095089
3-[4-[3-[4-(2-cyano-3-pyridinyl)phenyl]-5-[4-(2-isocyano-3-pyridinyl)phenyl]phenyl]phenyl]pyridine-2-carbonitrile
CID 140769376
3-[3-(trifluoromethoxy)phenyl]pyridine-2-carbonitrile
CID 134621656
2,4-diamino-6-[4-(2-cyano-3-pyridinyl)phenyl]pyrimidine-5-carbonitrile
CID 169397299
8-bromoisoquinoline-1-carbonitrile
CID 82571529
3-bromopyridine-2,4-dicarbonitrile
CID 150877137
3-(bromomethyl)pyridine-2-carbonitrile;hydrobromide
CID 121231605
4-bromo-3-methylpyridine-2-carbonitrile
CID 55253016

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile (CID 170449856) is 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile is N#Cc1ncccc1-c1cnc(Br)nc1.
What is the InChIKey of 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile?
The InChIKey is TWIZAEKBMRCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4/c11-10-14-5-7(6-15-10)8-2-1-3-13-9(8)4-12/h1-3,5-6H.
What are the key properties of 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile?
3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile has a molecular weight of 261.08 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopyrimidin-5-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 170449856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).