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

C7H2BrClF2N2 — CID 118811799

IUPAC4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(Br)c1Cl
InChIInChI=1S/C7H2BrClF2N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H
InChIKeyAOWUMTSCZZSMJE-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.31
Rot. Bonds1

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

4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 118811799) has the molecular formula C7H2BrClF2N2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID118811799
Molecular FormulaC7H2BrClF2N2
Molecular Weight267.46 g/mol
Exact Mass265.91
IUPAC Name4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(Br)c1Cl
InChIInChI=1S/C7H2BrClF2N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H
InChIKeyAOWUMTSCZZSMJE-UHFFFAOYSA-N
XLogP3.31
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
CID 130107809

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile (CID 118811799) is 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is AOWUMTSCZZSMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2N2/c8-5-3(7(10)11)2-13-4(1-12)6(5)9/h2,7H.
What are the key properties of 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile?
4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 267.46 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118811799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).