2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile

C19H12ClN3 — CID 121337972

IUPAC2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cn2c3ccccc3c3cc(Cl)ccc32)c1
InChIInChI=1S/C19H12ClN3/c20-14-5-6-19-17(10-14)16-3-1-2-4-18(16)23(19)12-15-9-13(11-21)7-8-22-15/h1-10H,12H2
InChIKeyLVZQUXLTANPQKO-UHFFFAOYSA-N
MW317.78 g/mol
LogP4.76
Rot. Bonds2

About 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile

2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile (PubChem CID 121337972) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile
PubChem CID121337972
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Cn2c3ccccc3c3cc(Cl)ccc32)c1
InChIInChI=1S/C19H12ClN3/c20-14-5-6-19-17(10-14)16-3-1-2-4-18(16)23(19)12-15-9-13(11-21)7-8-22-15/h1-10H,12H2
InChIKeyLVZQUXLTANPQKO-UHFFFAOYSA-N
XLogP4.76
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102503171
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CID 117368332
2-[(2-aminoimidazol-1-yl)methyl]pyridine-4-carbonitrile
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4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
CID 57457097
4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
CID 160905410
9-[(4-chlorophenyl)methyl]-1-methylpyrido[3,4-b]indole
CID 17039129
2-(3-methylbut-3-enyl)pyridine-4-carbonitrile
CID 10654779
9-[3-(2-hydroxyphenoxy)propyl]carbazole-3-carbonitrile
CID 175316624
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
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CID 79245492

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile (CID 121337972) is 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile is N#Cc1ccnc(Cn2c3ccccc3c3cc(Cl)ccc32)c1.
What is the InChIKey of 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile?
The InChIKey is LVZQUXLTANPQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-14-5-6-19-17(10-14)16-3-1-2-4-18(16)23(19)12-15-9-13(11-21)7-8-22-15/h1-10H,12H2.
What are the key properties of 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile?
2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile has a molecular weight of 317.78 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorocarbazol-9-yl)methyl]pyridine-4-carbonitrile is sourced from PubChem (CID 121337972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).