2-chloro-5-methyl-6-propylpyridine-3-carbonitrile

C10H11ClN2 — CID 112757206

IUPAC2-chloro-5-methyl-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(Cl)c(C#N)cc1C
InChIInChI=1S/C10H11ClN2/c1-3-4-9-7(2)5-8(6-12)10(11)13-9/h5H,3-4H2,1-2H3
InChIKeyJVMJQVBOVLCGFL-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.87
Rot. Bonds2

About 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile

2-chloro-5-methyl-6-propylpyridine-3-carbonitrile (PubChem CID 112757206) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-methyl-6-propylpyridine-3-carbonitrile
PubChem CID112757206
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-chloro-5-methyl-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(Cl)c(C#N)cc1C
InChIInChI=1S/C10H11ClN2/c1-3-4-9-7(2)5-8(6-12)10(11)13-9/h5H,3-4H2,1-2H3
InChIKeyJVMJQVBOVLCGFL-UHFFFAOYSA-N
XLogP2.87
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
2,5-dichloro-6-ethylpyridine-3-carbonitrile
CID 14211647
2-butyl-4-chloropyrimidine-5-carbonitrile
CID 19792000
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539
6-(3-bromo-6-chloro-5-cyano-2-pyridinyl)-3-tert-butylhexanoic acid
CID 175089567
6-chloro-3-methyl-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
CID 82394973
2-chloro-6-methyl-5-phenylpyridine-3-carbonitrile
CID 1476365
3-chloro-1-ethyl-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine-4-carbonitrile
CID 97181778
5-acetyl-2,6-dichloropyridine-3-carbonitrile
CID 167702733
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile (CID 112757206) is 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile is CCCc1nc(Cl)c(C#N)cc1C.
What is the InChIKey of 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile?
The InChIKey is JVMJQVBOVLCGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-4-9-7(2)5-8(6-12)10(11)13-9/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile?
2-chloro-5-methyl-6-propylpyridine-3-carbonitrile has a molecular weight of 194.66 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 112757206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).